USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 961 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 44 HIS :FLIP no HD1:sc= -0.764 F(o=-2.3,f=-1.5) USER MOD Set 1.2: A 60 MET CE :methyl -161:sc= -0.718 (180deg=-0.992) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 8 MET CE :methyl 161:sc= -0.0469 (180deg=-0.395) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 67:sc= 0.594 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.868 X(o=-0.87,f=-1.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= -0.396 F(o=-1.2,f=-0.4) USER MOD Single : A 53 CYS SG : rot -160:sc= -1.35 USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 56 MET CE :methyl 148:sc= -3.92! (180deg=-5.37!) USER MOD Single : A 57 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.8) USER MOD Single : A 65 LYS NZ :NH3+ -135:sc= -0.267 (180deg=-1.43!) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 71 SER OG : rot 130:sc= -0.495 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 78:sc= -0.195 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 128:sc= 0.601 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 35:sc= 0.495 USER MOD Single : A 94 THR OG1 : rot 131:sc= 1.12 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.2) USER MOD Single : A 101 SER OG : rot -58:sc= 0.99 USER MOD Single : A 102 GLN : amide:sc=-0.00514 K(o=-0.0051,f=-1.5) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.056) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -135:sc= -0.545 (180deg=-1.19) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 122 HIS : no HD1:sc= -2.55 K(o=-2.6,f=-4.8!) USER MOD Single : A 124 SER OG : rot 17:sc= 1.03 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 48:sc= 0.976 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.262 -12.635 -40.835 1.00 0.00 N ATOM 2 CA GLY A 1 -14.793 -13.980 -40.556 1.00 0.00 C ATOM 3 C GLY A 1 -14.374 -14.159 -39.110 1.00 0.00 C ATOM 4 O GLY A 1 -13.464 -13.483 -38.632 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.536 -12.564 -41.836 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.084 -12.422 -40.235 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.502 -11.954 -40.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.582 -14.693 -40.793 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.949 -14.210 -41.207 1.00 0.00 H new ATOM 8 N SER A 2 -15.042 -15.072 -38.411 1.00 0.00 N ATOM 9 CA SER A 2 -14.737 -15.334 -37.009 1.00 0.00 C ATOM 10 C SER A 2 -13.859 -16.573 -36.867 1.00 0.00 C ATOM 11 O SER A 2 -14.358 -17.688 -36.711 1.00 0.00 O ATOM 12 CB SER A 2 -16.029 -15.517 -36.210 1.00 0.00 C ATOM 13 OG SER A 2 -16.708 -14.283 -36.050 1.00 0.00 O ATOM 0 H SER A 2 -15.797 -15.642 -38.792 1.00 0.00 H new ATOM 0 HA SER A 2 -14.192 -14.476 -36.615 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.678 -16.229 -36.720 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.799 -15.939 -35.232 1.00 0.00 H new ATOM 0 HG SER A 2 -17.531 -14.427 -35.538 1.00 0.00 H new ATOM 19 N SER A 3 -12.546 -16.370 -36.922 1.00 0.00 N ATOM 20 CA SER A 3 -11.596 -17.470 -36.803 1.00 0.00 C ATOM 21 C SER A 3 -11.601 -18.041 -35.388 1.00 0.00 C ATOM 22 O SER A 3 -11.835 -19.232 -35.188 1.00 0.00 O ATOM 23 CB SER A 3 -10.188 -16.998 -37.170 1.00 0.00 C ATOM 24 OG SER A 3 -9.283 -18.086 -37.222 1.00 0.00 O ATOM 0 H SER A 3 -12.116 -15.454 -37.048 1.00 0.00 H new ATOM 0 HA SER A 3 -11.899 -18.256 -37.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.211 -16.493 -38.136 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.843 -16.269 -36.437 1.00 0.00 H new ATOM 0 HG SER A 3 -8.391 -17.758 -37.460 1.00 0.00 H new ATOM 30 N GLY A 4 -11.341 -17.181 -34.408 1.00 0.00 N ATOM 31 CA GLY A 4 -11.319 -17.617 -33.024 1.00 0.00 C ATOM 32 C GLY A 4 -9.943 -18.074 -32.582 1.00 0.00 C ATOM 33 O GLY A 4 -9.459 -19.119 -33.017 1.00 0.00 O ATOM 0 H GLY A 4 -11.145 -16.190 -34.548 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.650 -16.800 -32.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.029 -18.433 -32.892 1.00 0.00 H new ATOM 37 N SER A 5 -9.311 -17.289 -31.716 1.00 0.00 N ATOM 38 CA SER A 5 -7.980 -17.616 -31.218 1.00 0.00 C ATOM 39 C SER A 5 -7.587 -16.693 -30.069 1.00 0.00 C ATOM 40 O SER A 5 -7.473 -15.480 -30.243 1.00 0.00 O ATOM 41 CB SER A 5 -6.951 -17.510 -32.346 1.00 0.00 C ATOM 42 OG SER A 5 -5.630 -17.518 -31.833 1.00 0.00 O ATOM 0 H SER A 5 -9.699 -16.422 -31.344 1.00 0.00 H new ATOM 0 HA SER A 5 -8.000 -18.641 -30.847 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.080 -18.341 -33.040 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.119 -16.593 -32.911 1.00 0.00 H new ATOM 0 HG SER A 5 -4.991 -17.451 -32.573 1.00 0.00 H new ATOM 48 N SER A 6 -7.383 -17.277 -28.892 1.00 0.00 N ATOM 49 CA SER A 6 -7.008 -16.508 -27.712 1.00 0.00 C ATOM 50 C SER A 6 -5.503 -16.256 -27.684 1.00 0.00 C ATOM 51 O SER A 6 -4.845 -16.474 -26.667 1.00 0.00 O ATOM 52 CB SER A 6 -7.437 -17.242 -26.440 1.00 0.00 C ATOM 53 OG SER A 6 -6.627 -18.382 -26.211 1.00 0.00 O ATOM 0 H SER A 6 -7.471 -18.280 -28.731 1.00 0.00 H new ATOM 0 HA SER A 6 -7.520 -15.547 -27.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.370 -16.567 -25.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.481 -17.545 -26.526 1.00 0.00 H new ATOM 0 HG SER A 6 -5.713 -18.097 -26.004 1.00 0.00 H new ATOM 59 N GLY A 7 -4.965 -15.795 -28.809 1.00 0.00 N ATOM 60 CA GLY A 7 -3.542 -15.521 -28.893 1.00 0.00 C ATOM 61 C GLY A 7 -2.760 -16.689 -29.459 1.00 0.00 C ATOM 62 O GLY A 7 -3.199 -17.836 -29.380 1.00 0.00 O ATOM 0 H GLY A 7 -5.489 -15.606 -29.664 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.380 -14.643 -29.518 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.162 -15.280 -27.900 1.00 0.00 H new ATOM 66 N MET A 8 -1.597 -16.397 -30.033 1.00 0.00 N ATOM 67 CA MET A 8 -0.752 -17.433 -30.616 1.00 0.00 C ATOM 68 C MET A 8 0.609 -17.475 -29.927 1.00 0.00 C ATOM 69 O MET A 8 1.029 -18.518 -29.427 1.00 0.00 O ATOM 70 CB MET A 8 -0.570 -17.190 -32.115 1.00 0.00 C ATOM 71 CG MET A 8 -0.106 -18.419 -32.878 1.00 0.00 C ATOM 72 SD MET A 8 -1.395 -19.671 -33.027 1.00 0.00 S ATOM 73 CE MET A 8 -2.505 -18.878 -34.188 1.00 0.00 C ATOM 0 H MET A 8 -1.219 -15.453 -30.107 1.00 0.00 H new ATOM 0 HA MET A 8 -1.245 -18.394 -30.469 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.515 -16.846 -32.536 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.154 -16.388 -32.259 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.223 -18.121 -33.874 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.758 -18.851 -32.373 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.156 -19.627 -34.639 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.111 -18.138 -33.665 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.924 -18.385 -34.968 1.00 0.00 H new ATOM 83 N ALA A 9 1.292 -16.335 -29.905 1.00 0.00 N ATOM 84 CA ALA A 9 2.603 -16.243 -29.276 1.00 0.00 C ATOM 85 C ALA A 9 2.764 -14.921 -28.533 1.00 0.00 C ATOM 86 O ALA A 9 2.150 -13.917 -28.894 1.00 0.00 O ATOM 87 CB ALA A 9 3.701 -16.401 -30.319 1.00 0.00 C ATOM 0 H ALA A 9 0.959 -15.463 -30.316 1.00 0.00 H new ATOM 0 HA ALA A 9 2.687 -17.051 -28.549 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.675 -16.330 -29.835 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.606 -17.373 -30.803 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.609 -15.613 -31.066 1.00 0.00 H new ATOM 93 N ALA A 10 3.591 -14.928 -27.493 1.00 0.00 N ATOM 94 CA ALA A 10 3.833 -13.730 -26.700 1.00 0.00 C ATOM 95 C ALA A 10 4.989 -12.917 -27.272 1.00 0.00 C ATOM 96 O ALA A 10 6.076 -13.444 -27.505 1.00 0.00 O ATOM 97 CB ALA A 10 4.113 -14.102 -25.252 1.00 0.00 C ATOM 0 H ALA A 10 4.105 -15.751 -27.180 1.00 0.00 H new ATOM 0 HA ALA A 10 2.935 -13.113 -26.738 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.292 -13.197 -24.672 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.255 -14.633 -24.840 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.993 -14.743 -25.205 1.00 0.00 H new ATOM 103 N GLY A 11 4.747 -11.629 -27.497 1.00 0.00 N ATOM 104 CA GLY A 11 5.778 -10.764 -28.041 1.00 0.00 C ATOM 105 C GLY A 11 5.868 -9.439 -27.310 1.00 0.00 C ATOM 106 O GLY A 11 5.301 -8.440 -27.750 1.00 0.00 O ATOM 0 H GLY A 11 3.855 -11.169 -27.312 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.741 -11.272 -27.986 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.575 -10.580 -29.096 1.00 0.00 H new ATOM 110 N ALA A 12 6.583 -9.431 -26.190 1.00 0.00 N ATOM 111 CA ALA A 12 6.746 -8.219 -25.396 1.00 0.00 C ATOM 112 C ALA A 12 5.453 -7.859 -24.672 1.00 0.00 C ATOM 113 O ALA A 12 5.072 -6.691 -24.605 1.00 0.00 O ATOM 114 CB ALA A 12 7.196 -7.066 -26.281 1.00 0.00 C ATOM 0 H ALA A 12 7.059 -10.250 -25.812 1.00 0.00 H new ATOM 0 HA ALA A 12 7.512 -8.407 -24.644 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.314 -6.167 -25.676 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.148 -7.316 -26.748 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.448 -6.887 -27.054 1.00 0.00 H new ATOM 120 N ALA A 13 4.783 -8.871 -24.130 1.00 0.00 N ATOM 121 CA ALA A 13 3.533 -8.660 -23.410 1.00 0.00 C ATOM 122 C ALA A 13 3.757 -8.694 -21.902 1.00 0.00 C ATOM 123 O ALA A 13 4.662 -9.371 -21.415 1.00 0.00 O ATOM 124 CB ALA A 13 2.506 -9.707 -23.816 1.00 0.00 C ATOM 0 H ALA A 13 5.085 -9.844 -24.176 1.00 0.00 H new ATOM 0 HA ALA A 13 3.153 -7.673 -23.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.578 -9.537 -23.270 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.316 -9.634 -24.887 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.888 -10.701 -23.582 1.00 0.00 H new ATOM 130 N GLU A 14 2.928 -7.959 -21.168 1.00 0.00 N ATOM 131 CA GLU A 14 3.037 -7.905 -19.715 1.00 0.00 C ATOM 132 C GLU A 14 1.669 -8.069 -19.059 1.00 0.00 C ATOM 133 O GLU A 14 0.664 -7.569 -19.564 1.00 0.00 O ATOM 134 CB GLU A 14 3.669 -6.581 -19.278 1.00 0.00 C ATOM 135 CG GLU A 14 2.930 -5.356 -19.789 1.00 0.00 C ATOM 136 CD GLU A 14 3.343 -4.085 -19.072 1.00 0.00 C ATOM 137 OE1 GLU A 14 4.532 -3.966 -18.712 1.00 0.00 O ATOM 138 OE2 GLU A 14 2.475 -3.209 -18.872 1.00 0.00 O ATOM 0 H GLU A 14 2.173 -7.393 -21.556 1.00 0.00 H new ATOM 0 HA GLU A 14 3.675 -8.728 -19.394 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.703 -6.546 -18.189 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.700 -6.546 -19.630 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.116 -5.243 -20.857 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.857 -5.506 -19.666 1.00 0.00 H new ATOM 145 N ALA A 15 1.640 -8.772 -17.932 1.00 0.00 N ATOM 146 CA ALA A 15 0.397 -9.001 -17.207 1.00 0.00 C ATOM 147 C ALA A 15 0.543 -8.627 -15.736 1.00 0.00 C ATOM 148 O ALA A 15 -0.002 -9.295 -14.858 1.00 0.00 O ATOM 149 CB ALA A 15 -0.034 -10.454 -17.343 1.00 0.00 C ATOM 0 H ALA A 15 2.463 -9.193 -17.501 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.372 -8.363 -17.643 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.964 -10.610 -16.796 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.188 -10.691 -18.396 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.741 -11.103 -16.934 1.00 0.00 H new ATOM 155 N ALA A 16 1.282 -7.554 -15.474 1.00 0.00 N ATOM 156 CA ALA A 16 1.499 -7.090 -14.109 1.00 0.00 C ATOM 157 C ALA A 16 1.476 -5.567 -14.037 1.00 0.00 C ATOM 158 O ALA A 16 2.278 -4.892 -14.682 1.00 0.00 O ATOM 159 CB ALA A 16 2.818 -7.626 -13.572 1.00 0.00 C ATOM 0 H ALA A 16 1.741 -6.990 -16.189 1.00 0.00 H new ATOM 0 HA ALA A 16 0.687 -7.469 -13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.967 -7.271 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.797 -8.716 -13.578 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.636 -7.275 -14.201 1.00 0.00 H new ATOM 165 N VAL A 17 0.550 -5.030 -13.248 1.00 0.00 N ATOM 166 CA VAL A 17 0.422 -3.587 -13.091 1.00 0.00 C ATOM 167 C VAL A 17 0.746 -3.158 -11.664 1.00 0.00 C ATOM 168 O VAL A 17 0.241 -3.736 -10.702 1.00 0.00 O ATOM 169 CB VAL A 17 -0.996 -3.106 -13.450 1.00 0.00 C ATOM 170 CG1 VAL A 17 -1.100 -1.595 -13.311 1.00 0.00 C ATOM 171 CG2 VAL A 17 -1.367 -3.547 -14.858 1.00 0.00 C ATOM 0 H VAL A 17 -0.123 -5.574 -12.708 1.00 0.00 H new ATOM 0 HA VAL A 17 1.136 -3.130 -13.776 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.701 -3.559 -12.754 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.109 -1.274 -13.569 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.880 -1.308 -12.283 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.385 -1.118 -13.982 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.372 -3.199 -15.095 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.659 -3.124 -15.570 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.336 -4.635 -14.918 1.00 0.00 H new ATOM 181 N ALA A 18 1.591 -2.141 -11.535 1.00 0.00 N ATOM 182 CA ALA A 18 1.980 -1.632 -10.225 1.00 0.00 C ATOM 183 C ALA A 18 1.554 -0.179 -10.052 1.00 0.00 C ATOM 184 O ALA A 18 2.325 0.651 -9.569 1.00 0.00 O ATOM 185 CB ALA A 18 3.483 -1.770 -10.031 1.00 0.00 C ATOM 0 H ALA A 18 2.020 -1.653 -12.321 1.00 0.00 H new ATOM 0 HA ALA A 18 1.470 -2.225 -9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.760 -1.386 -9.049 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.764 -2.821 -10.102 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.003 -1.202 -10.802 1.00 0.00 H new ATOM 191 N ALA A 19 0.322 0.123 -10.448 1.00 0.00 N ATOM 192 CA ALA A 19 -0.207 1.477 -10.335 1.00 0.00 C ATOM 193 C ALA A 19 -1.514 1.491 -9.549 1.00 0.00 C ATOM 194 O ALA A 19 -2.237 0.496 -9.509 1.00 0.00 O ATOM 195 CB ALA A 19 -0.413 2.080 -11.716 1.00 0.00 C ATOM 0 H ALA A 19 -0.329 -0.552 -10.850 1.00 0.00 H new ATOM 0 HA ALA A 19 0.520 2.081 -9.792 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.808 3.091 -11.616 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.540 2.113 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.118 1.468 -12.279 1.00 0.00 H new ATOM 201 N VAL A 20 -1.811 2.627 -8.924 1.00 0.00 N ATOM 202 CA VAL A 20 -3.031 2.771 -8.140 1.00 0.00 C ATOM 203 C VAL A 20 -4.232 3.047 -9.037 1.00 0.00 C ATOM 204 O VAL A 20 -4.357 4.130 -9.607 1.00 0.00 O ATOM 205 CB VAL A 20 -2.904 3.907 -7.108 1.00 0.00 C ATOM 206 CG1 VAL A 20 -4.172 4.016 -6.274 1.00 0.00 C ATOM 207 CG2 VAL A 20 -1.689 3.685 -6.219 1.00 0.00 C ATOM 0 H VAL A 20 -1.223 3.460 -8.946 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.182 1.828 -7.615 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.768 4.847 -7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.063 4.824 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.020 4.225 -6.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.342 3.077 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.614 4.497 -5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.793 2.737 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.788 3.662 -6.833 1.00 0.00 H new ATOM 217 N GLU A 21 -5.114 2.059 -9.158 1.00 0.00 N ATOM 218 CA GLU A 21 -6.305 2.196 -9.987 1.00 0.00 C ATOM 219 C GLU A 21 -7.351 3.068 -9.297 1.00 0.00 C ATOM 220 O GLU A 21 -7.717 2.823 -8.148 1.00 0.00 O ATOM 221 CB GLU A 21 -6.898 0.821 -10.299 1.00 0.00 C ATOM 222 CG GLU A 21 -6.254 0.137 -11.493 1.00 0.00 C ATOM 223 CD GLU A 21 -6.816 0.621 -12.815 1.00 0.00 C ATOM 224 OE1 GLU A 21 -7.976 1.084 -12.832 1.00 0.00 O ATOM 225 OE2 GLU A 21 -6.097 0.536 -13.833 1.00 0.00 O ATOM 0 H GLU A 21 -5.026 1.156 -8.692 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.013 2.678 -10.920 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.791 0.181 -9.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.966 0.929 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.179 0.315 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.401 -0.940 -11.413 1.00 0.00 H new ATOM 232 N GLU A 22 -7.825 4.087 -10.007 1.00 0.00 N ATOM 233 CA GLU A 22 -8.827 4.996 -9.463 1.00 0.00 C ATOM 234 C GLU A 22 -10.237 4.486 -9.747 1.00 0.00 C ATOM 235 O GLU A 22 -10.733 4.591 -10.869 1.00 0.00 O ATOM 236 CB GLU A 22 -8.651 6.397 -10.053 1.00 0.00 C ATOM 237 CG GLU A 22 -9.656 7.408 -9.528 1.00 0.00 C ATOM 238 CD GLU A 22 -9.602 8.726 -10.277 1.00 0.00 C ATOM 239 OE1 GLU A 22 -8.618 9.472 -10.093 1.00 0.00 O ATOM 240 OE2 GLU A 22 -10.544 9.011 -11.046 1.00 0.00 O ATOM 0 H GLU A 22 -7.531 4.304 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.688 5.044 -8.383 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.644 6.751 -9.833 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.739 6.339 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.660 6.991 -9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.466 7.588 -8.470 1.00 0.00 H new ATOM 247 N VAL A 23 -10.877 3.931 -8.723 1.00 0.00 N ATOM 248 CA VAL A 23 -12.229 3.404 -8.861 1.00 0.00 C ATOM 249 C VAL A 23 -13.170 4.451 -9.447 1.00 0.00 C ATOM 250 O VAL A 23 -13.414 5.492 -8.838 1.00 0.00 O ATOM 251 CB VAL A 23 -12.788 2.929 -7.507 1.00 0.00 C ATOM 252 CG1 VAL A 23 -14.185 2.353 -7.677 1.00 0.00 C ATOM 253 CG2 VAL A 23 -11.854 1.908 -6.875 1.00 0.00 C ATOM 0 H VAL A 23 -10.480 3.835 -7.788 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.169 2.553 -9.539 1.00 0.00 H new ATOM 0 HB VAL A 23 -12.856 3.788 -6.840 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.563 2.023 -6.709 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.847 3.118 -8.083 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -14.148 1.505 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -12.264 1.583 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.753 1.048 -7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.875 2.360 -6.715 1.00 0.00 H new ATOM 263 N GLY A 24 -13.696 4.168 -10.635 1.00 0.00 N ATOM 264 CA GLY A 24 -14.604 5.095 -11.284 1.00 0.00 C ATOM 265 C GLY A 24 -15.971 5.122 -10.628 1.00 0.00 C ATOM 266 O GLY A 24 -16.603 6.175 -10.539 1.00 0.00 O ATOM 0 H GLY A 24 -13.509 3.313 -11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.174 6.096 -11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.713 4.818 -12.333 1.00 0.00 H new ATOM 270 N SER A 25 -16.429 3.962 -10.170 1.00 0.00 N ATOM 271 CA SER A 25 -17.732 3.855 -9.525 1.00 0.00 C ATOM 272 C SER A 25 -17.824 2.580 -8.693 1.00 0.00 C ATOM 273 O SER A 25 -16.935 1.730 -8.740 1.00 0.00 O ATOM 274 CB SER A 25 -18.847 3.876 -10.572 1.00 0.00 C ATOM 275 OG SER A 25 -18.979 2.613 -11.202 1.00 0.00 O ATOM 0 H SER A 25 -15.917 3.082 -10.234 1.00 0.00 H new ATOM 0 HA SER A 25 -17.851 4.711 -8.861 1.00 0.00 H new ATOM 0 HB2 SER A 25 -19.790 4.150 -10.098 1.00 0.00 H new ATOM 0 HB3 SER A 25 -18.633 4.639 -11.321 1.00 0.00 H new ATOM 0 HG SER A 25 -19.699 2.652 -11.866 1.00 0.00 H new ATOM 281 N ALA A 26 -18.906 2.453 -7.932 1.00 0.00 N ATOM 282 CA ALA A 26 -19.116 1.281 -7.092 1.00 0.00 C ATOM 283 C ALA A 26 -18.900 -0.006 -7.880 1.00 0.00 C ATOM 284 O ALA A 26 -18.221 -0.922 -7.418 1.00 0.00 O ATOM 285 CB ALA A 26 -20.514 1.306 -6.491 1.00 0.00 C ATOM 0 H ALA A 26 -19.651 3.148 -7.880 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.384 1.308 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -20.657 0.425 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.633 2.204 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.254 1.307 -7.291 1.00 0.00 H new ATOM 291 N GLY A 27 -19.483 -0.069 -9.073 1.00 0.00 N ATOM 292 CA GLY A 27 -19.342 -1.249 -9.906 1.00 0.00 C ATOM 293 C GLY A 27 -17.896 -1.672 -10.073 1.00 0.00 C ATOM 294 O GLY A 27 -17.572 -2.853 -9.951 1.00 0.00 O ATOM 0 H GLY A 27 -20.050 0.676 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.909 -2.070 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.775 -1.051 -10.887 1.00 0.00 H new ATOM 298 N GLN A 28 -17.027 -0.707 -10.354 1.00 0.00 N ATOM 299 CA GLN A 28 -15.608 -0.987 -10.539 1.00 0.00 C ATOM 300 C GLN A 28 -15.009 -1.616 -9.286 1.00 0.00 C ATOM 301 O GLN A 28 -14.319 -2.633 -9.358 1.00 0.00 O ATOM 302 CB GLN A 28 -14.855 0.297 -10.890 1.00 0.00 C ATOM 303 CG GLN A 28 -13.552 0.054 -11.635 1.00 0.00 C ATOM 304 CD GLN A 28 -13.037 1.298 -12.332 1.00 0.00 C ATOM 305 OE1 GLN A 28 -13.776 1.971 -13.051 1.00 0.00 O ATOM 306 NE2 GLN A 28 -11.764 1.610 -12.122 1.00 0.00 N ATOM 0 H GLN A 28 -17.280 0.275 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.507 -1.695 -11.362 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.499 0.931 -11.499 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.642 0.846 -9.973 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -12.798 -0.303 -10.933 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.701 -0.735 -12.372 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.188 1.023 -11.518 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.362 2.436 -12.564 1.00 0.00 H new ATOM 315 N PHE A 29 -15.277 -1.004 -8.137 1.00 0.00 N ATOM 316 CA PHE A 29 -14.763 -1.503 -6.867 1.00 0.00 C ATOM 317 C PHE A 29 -15.414 -2.834 -6.502 1.00 0.00 C ATOM 318 O PHE A 29 -14.745 -3.864 -6.428 1.00 0.00 O ATOM 319 CB PHE A 29 -15.008 -0.480 -5.756 1.00 0.00 C ATOM 320 CG PHE A 29 -14.767 -1.024 -4.377 1.00 0.00 C ATOM 321 CD1 PHE A 29 -13.508 -1.467 -4.002 1.00 0.00 C ATOM 322 CD2 PHE A 29 -15.799 -1.093 -3.454 1.00 0.00 C ATOM 323 CE1 PHE A 29 -13.283 -1.968 -2.734 1.00 0.00 C ATOM 324 CE2 PHE A 29 -15.579 -1.592 -2.185 1.00 0.00 C ATOM 325 CZ PHE A 29 -14.320 -2.031 -1.824 1.00 0.00 C ATOM 0 H PHE A 29 -15.847 -0.162 -8.059 1.00 0.00 H new ATOM 0 HA PHE A 29 -13.690 -1.661 -6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.360 0.381 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -16.035 -0.122 -5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.693 -1.420 -4.709 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -16.786 -0.753 -3.730 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.297 -2.310 -2.455 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.391 -1.639 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 29 -14.147 -2.423 -0.832 1.00 0.00 H new ATOM 335 N GLU A 30 -16.724 -2.802 -6.275 1.00 0.00 N ATOM 336 CA GLU A 30 -17.465 -4.005 -5.916 1.00 0.00 C ATOM 337 C GLU A 30 -17.025 -5.191 -6.770 1.00 0.00 C ATOM 338 O GLU A 30 -16.870 -6.305 -6.271 1.00 0.00 O ATOM 339 CB GLU A 30 -18.968 -3.773 -6.082 1.00 0.00 C ATOM 340 CG GLU A 30 -19.560 -2.844 -5.035 1.00 0.00 C ATOM 341 CD GLU A 30 -19.967 -3.575 -3.770 1.00 0.00 C ATOM 342 OE1 GLU A 30 -19.258 -4.527 -3.382 1.00 0.00 O ATOM 343 OE2 GLU A 30 -20.992 -3.195 -3.168 1.00 0.00 O ATOM 0 H GLU A 30 -17.293 -1.957 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 30 -17.253 -4.233 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -19.156 -3.357 -7.072 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -19.482 -4.733 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -18.832 -2.072 -4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -20.430 -2.338 -5.454 1.00 0.00 H new ATOM 350 N GLU A 31 -16.827 -4.941 -8.061 1.00 0.00 N ATOM 351 CA GLU A 31 -16.407 -5.988 -8.985 1.00 0.00 C ATOM 352 C GLU A 31 -15.001 -6.478 -8.649 1.00 0.00 C ATOM 353 O GLU A 31 -14.775 -7.675 -8.467 1.00 0.00 O ATOM 354 CB GLU A 31 -16.449 -5.475 -10.426 1.00 0.00 C ATOM 355 CG GLU A 31 -16.192 -6.554 -11.464 1.00 0.00 C ATOM 356 CD GLU A 31 -15.998 -5.988 -12.857 1.00 0.00 C ATOM 357 OE1 GLU A 31 -15.022 -5.236 -13.063 1.00 0.00 O ATOM 358 OE2 GLU A 31 -16.822 -6.298 -13.743 1.00 0.00 O ATOM 0 H GLU A 31 -16.951 -4.024 -8.490 1.00 0.00 H new ATOM 0 HA GLU A 31 -17.099 -6.824 -8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -17.424 -5.026 -10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.707 -4.686 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.306 -7.123 -11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.029 -7.252 -11.473 1.00 0.00 H new ATOM 365 N LEU A 32 -14.059 -5.544 -8.569 1.00 0.00 N ATOM 366 CA LEU A 32 -12.674 -5.879 -8.255 1.00 0.00 C ATOM 367 C LEU A 32 -12.596 -6.769 -7.019 1.00 0.00 C ATOM 368 O LEU A 32 -11.864 -7.760 -7.000 1.00 0.00 O ATOM 369 CB LEU A 32 -11.859 -4.605 -8.032 1.00 0.00 C ATOM 370 CG LEU A 32 -10.375 -4.685 -8.395 1.00 0.00 C ATOM 371 CD1 LEU A 32 -10.183 -4.531 -9.896 1.00 0.00 C ATOM 372 CD2 LEU A 32 -9.584 -3.625 -7.643 1.00 0.00 C ATOM 0 H LEU A 32 -14.229 -4.549 -8.717 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.258 -6.426 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.312 -3.802 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.941 -4.324 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.001 -5.666 -8.101 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.121 -4.591 -10.135 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.717 -5.327 -10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.573 -3.565 -10.215 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.531 -3.697 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.960 -2.636 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.694 -3.782 -6.570 1.00 0.00 H new ATOM 384 N LEU A 33 -13.355 -6.411 -5.990 1.00 0.00 N ATOM 385 CA LEU A 33 -13.374 -7.179 -4.749 1.00 0.00 C ATOM 386 C LEU A 33 -13.350 -8.677 -5.035 1.00 0.00 C ATOM 387 O LEU A 33 -12.625 -9.431 -4.386 1.00 0.00 O ATOM 388 CB LEU A 33 -14.614 -6.826 -3.926 1.00 0.00 C ATOM 389 CG LEU A 33 -14.483 -5.616 -3.000 1.00 0.00 C ATOM 390 CD1 LEU A 33 -15.843 -5.213 -2.452 1.00 0.00 C ATOM 391 CD2 LEU A 33 -13.516 -5.916 -1.865 1.00 0.00 C ATOM 0 H LEU A 33 -13.966 -5.594 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.481 -6.922 -4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -15.441 -6.645 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -14.884 -7.693 -3.322 1.00 0.00 H new ATOM 0 HG LEU A 33 -14.086 -4.782 -3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -15.730 -4.350 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -16.506 -4.956 -3.278 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -16.269 -6.044 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.435 -5.044 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -13.884 -6.765 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.535 -6.155 -2.276 1.00 0.00 H new ATOM 403 N ARG A 34 -14.145 -9.101 -6.012 1.00 0.00 N ATOM 404 CA ARG A 34 -14.214 -10.508 -6.385 1.00 0.00 C ATOM 405 C ARG A 34 -12.956 -10.934 -7.137 1.00 0.00 C ATOM 406 O ARG A 34 -12.292 -11.901 -6.761 1.00 0.00 O ATOM 407 CB ARG A 34 -15.449 -10.769 -7.249 1.00 0.00 C ATOM 408 CG ARG A 34 -16.690 -11.123 -6.445 1.00 0.00 C ATOM 409 CD ARG A 34 -17.958 -10.916 -7.259 1.00 0.00 C ATOM 410 NE ARG A 34 -19.150 -10.881 -6.416 1.00 0.00 N ATOM 411 CZ ARG A 34 -20.280 -10.276 -6.766 1.00 0.00 C ATOM 412 NH1 ARG A 34 -20.372 -9.661 -7.936 1.00 0.00 N ATOM 413 NH2 ARG A 34 -21.322 -10.287 -5.944 1.00 0.00 N ATOM 0 H ARG A 34 -14.751 -8.490 -6.560 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.287 -11.096 -5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.656 -9.883 -7.850 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -15.232 -11.581 -7.943 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.630 -12.162 -6.120 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -16.729 -10.509 -5.545 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.882 -9.983 -7.818 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.055 -11.719 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 34 -19.113 -11.346 -5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -19.574 -9.651 -8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.241 -9.198 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -21.256 -10.760 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.189 -9.822 -6.213 1.00 0.00 H new ATOM 427 N LEU A 35 -12.634 -10.206 -8.200 1.00 0.00 N ATOM 428 CA LEU A 35 -11.455 -10.507 -9.006 1.00 0.00 C ATOM 429 C LEU A 35 -10.204 -10.571 -8.137 1.00 0.00 C ATOM 430 O LEU A 35 -9.553 -11.613 -8.041 1.00 0.00 O ATOM 431 CB LEU A 35 -11.277 -9.453 -10.099 1.00 0.00 C ATOM 432 CG LEU A 35 -12.170 -9.606 -11.331 1.00 0.00 C ATOM 433 CD1 LEU A 35 -12.119 -8.350 -12.187 1.00 0.00 C ATOM 434 CD2 LEU A 35 -11.754 -10.824 -12.143 1.00 0.00 C ATOM 0 H LEU A 35 -13.172 -9.403 -8.524 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.603 -11.482 -9.471 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.460 -8.471 -9.662 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.237 -9.468 -10.425 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.197 -9.751 -10.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.761 -8.478 -13.059 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.466 -7.497 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.094 -8.173 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.400 -10.917 -13.016 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.720 -10.709 -12.468 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.844 -11.719 -11.528 1.00 0.00 H new ATOM 446 N LYS A 36 -9.872 -9.452 -7.502 1.00 0.00 N ATOM 447 CA LYS A 36 -8.700 -9.380 -6.637 1.00 0.00 C ATOM 448 C LYS A 36 -9.020 -9.910 -5.243 1.00 0.00 C ATOM 449 O LYS A 36 -8.564 -9.361 -4.241 1.00 0.00 O ATOM 450 CB LYS A 36 -8.197 -7.938 -6.544 1.00 0.00 C ATOM 451 CG LYS A 36 -7.953 -7.290 -7.895 1.00 0.00 C ATOM 452 CD LYS A 36 -6.613 -7.706 -8.479 1.00 0.00 C ATOM 453 CE LYS A 36 -6.346 -7.016 -9.808 1.00 0.00 C ATOM 454 NZ LYS A 36 -5.101 -7.517 -10.453 1.00 0.00 N ATOM 0 H LYS A 36 -10.399 -8.581 -7.570 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.919 -10.003 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.925 -7.343 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.270 -7.922 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.752 -7.567 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.984 -6.205 -7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.817 -7.463 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.596 -8.787 -8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.191 -7.177 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.265 -5.941 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.954 -7.022 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.290 -7.341 -9.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.188 -8.538 -10.628 1.00 0.00 H new ATOM 468 N ALA A 37 -9.805 -10.981 -5.188 1.00 0.00 N ATOM 469 CA ALA A 37 -10.182 -11.587 -3.917 1.00 0.00 C ATOM 470 C ALA A 37 -9.018 -12.363 -3.312 1.00 0.00 C ATOM 471 O ALA A 37 -8.717 -12.227 -2.125 1.00 0.00 O ATOM 472 CB ALA A 37 -11.386 -12.498 -4.103 1.00 0.00 C ATOM 0 H ALA A 37 -10.192 -11.447 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.449 -10.787 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.656 -12.944 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.226 -11.917 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.139 -13.287 -4.814 1.00 0.00 H new ATOM 478 N LYS A 38 -8.365 -13.178 -4.133 1.00 0.00 N ATOM 479 CA LYS A 38 -7.233 -13.977 -3.680 1.00 0.00 C ATOM 480 C LYS A 38 -6.124 -13.086 -3.131 1.00 0.00 C ATOM 481 O LYS A 38 -5.585 -13.341 -2.054 1.00 0.00 O ATOM 482 CB LYS A 38 -6.693 -14.832 -4.829 1.00 0.00 C ATOM 483 CG LYS A 38 -7.668 -15.894 -5.306 1.00 0.00 C ATOM 484 CD LYS A 38 -7.041 -16.792 -6.360 1.00 0.00 C ATOM 485 CE LYS A 38 -6.196 -17.888 -5.728 1.00 0.00 C ATOM 486 NZ LYS A 38 -5.777 -18.911 -6.726 1.00 0.00 N ATOM 0 H LYS A 38 -8.601 -13.303 -5.117 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.579 -14.631 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.438 -14.182 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.770 -15.315 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.993 -16.498 -4.459 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.557 -15.415 -5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.825 -17.241 -6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.422 -16.193 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.312 -17.446 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.763 -18.369 -4.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.203 -19.640 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.620 -19.352 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.215 -18.457 -7.474 1.00 0.00 H new ATOM 500 N SER A 39 -5.788 -12.038 -3.877 1.00 0.00 N ATOM 501 CA SER A 39 -4.742 -11.110 -3.466 1.00 0.00 C ATOM 502 C SER A 39 -5.277 -10.101 -2.455 1.00 0.00 C ATOM 503 O SER A 39 -6.469 -10.088 -2.144 1.00 0.00 O ATOM 504 CB SER A 39 -4.173 -10.377 -4.683 1.00 0.00 C ATOM 505 OG SER A 39 -3.431 -11.258 -5.508 1.00 0.00 O ATOM 0 H SER A 39 -6.226 -11.811 -4.770 1.00 0.00 H new ATOM 0 HA SER A 39 -3.946 -11.685 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.986 -9.934 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.534 -9.558 -4.352 1.00 0.00 H new ATOM 0 HG SER A 39 -3.080 -10.766 -6.279 1.00 0.00 H new ATOM 511 N LEU A 40 -4.388 -9.256 -1.944 1.00 0.00 N ATOM 512 CA LEU A 40 -4.769 -8.242 -0.967 1.00 0.00 C ATOM 513 C LEU A 40 -5.183 -6.948 -1.659 1.00 0.00 C ATOM 514 O LEU A 40 -4.519 -6.489 -2.590 1.00 0.00 O ATOM 515 CB LEU A 40 -3.612 -7.972 -0.004 1.00 0.00 C ATOM 516 CG LEU A 40 -3.737 -6.718 0.862 1.00 0.00 C ATOM 517 CD1 LEU A 40 -4.921 -6.840 1.809 1.00 0.00 C ATOM 518 CD2 LEU A 40 -2.452 -6.476 1.640 1.00 0.00 C ATOM 0 H LEU A 40 -3.398 -9.253 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.622 -8.619 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.505 -8.834 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.692 -7.898 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.908 -5.863 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.995 -5.939 2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.837 -6.964 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.781 -7.705 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.560 -5.579 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.250 -7.332 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.624 -6.343 0.943 1.00 0.00 H new ATOM 530 N LEU A 41 -6.282 -6.361 -1.198 1.00 0.00 N ATOM 531 CA LEU A 41 -6.783 -5.117 -1.771 1.00 0.00 C ATOM 532 C LEU A 41 -6.663 -3.970 -0.772 1.00 0.00 C ATOM 533 O LEU A 41 -6.888 -4.149 0.425 1.00 0.00 O ATOM 534 CB LEU A 41 -8.241 -5.282 -2.202 1.00 0.00 C ATOM 535 CG LEU A 41 -8.768 -4.248 -3.198 1.00 0.00 C ATOM 536 CD1 LEU A 41 -8.410 -4.648 -4.621 1.00 0.00 C ATOM 537 CD2 LEU A 41 -10.274 -4.084 -3.051 1.00 0.00 C ATOM 0 H LEU A 41 -6.843 -6.727 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.177 -4.878 -2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.359 -6.273 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.868 -5.251 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.296 -3.290 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.793 -3.901 -5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.326 -4.713 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.854 -5.617 -4.849 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.631 -3.344 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.764 -5.039 -3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.507 -3.751 -2.040 1.00 0.00 H new ATOM 549 N VAL A 42 -6.309 -2.790 -1.273 1.00 0.00 N ATOM 550 CA VAL A 42 -6.163 -1.613 -0.425 1.00 0.00 C ATOM 551 C VAL A 42 -6.952 -0.434 -0.982 1.00 0.00 C ATOM 552 O VAL A 42 -6.546 0.194 -1.960 1.00 0.00 O ATOM 553 CB VAL A 42 -4.684 -1.205 -0.282 1.00 0.00 C ATOM 554 CG1 VAL A 42 -4.562 0.093 0.501 1.00 0.00 C ATOM 555 CG2 VAL A 42 -3.888 -2.316 0.385 1.00 0.00 C ATOM 0 H VAL A 42 -6.118 -2.624 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.556 -1.878 0.556 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.272 -1.041 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.511 0.366 0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.098 0.885 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.990 -0.040 1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.846 -2.011 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.298 -2.513 1.375 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.949 -3.221 -0.220 1.00 0.00 H new ATOM 565 N VAL A 43 -8.085 -0.137 -0.352 1.00 0.00 N ATOM 566 CA VAL A 43 -8.932 0.969 -0.783 1.00 0.00 C ATOM 567 C VAL A 43 -8.616 2.240 -0.002 1.00 0.00 C ATOM 568 O VAL A 43 -9.089 2.425 1.120 1.00 0.00 O ATOM 569 CB VAL A 43 -10.425 0.631 -0.612 1.00 0.00 C ATOM 570 CG1 VAL A 43 -11.290 1.813 -1.023 1.00 0.00 C ATOM 571 CG2 VAL A 43 -10.786 -0.609 -1.415 1.00 0.00 C ATOM 0 H VAL A 43 -8.437 -0.647 0.458 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.724 1.135 -1.840 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.614 0.421 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.342 1.556 -0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.049 2.674 -0.400 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -11.100 2.057 -2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -11.844 -0.833 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.582 -0.431 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.190 -1.453 -1.068 1.00 0.00 H new ATOM 581 N HIS A 44 -7.815 3.113 -0.602 1.00 0.00 N ATOM 582 CA HIS A 44 -7.436 4.369 0.037 1.00 0.00 C ATOM 583 C HIS A 44 -8.379 5.495 -0.377 1.00 0.00 C ATOM 584 O HIS A 44 -8.513 5.801 -1.562 1.00 0.00 O ATOM 585 CB HIS A 44 -5.996 4.735 -0.323 1.00 0.00 C ATOM 586 CG HIS A 44 -5.674 6.182 -0.107 1.00 0.00 C ATOM 587 ND1 HIS A 44 -6.122 7.060 0.821 1.00 0.00 N flip ATOM 588 CD2 HIS A 44 -4.794 6.883 -0.903 1.00 0.00 C flip ATOM 589 CE1 HIS A 44 -5.510 8.263 0.572 1.00 0.00 C flip ATOM 590 NE2 HIS A 44 -4.713 8.130 -0.473 1.00 0.00 N flip ATOM 0 H HIS A 44 -7.415 2.975 -1.530 1.00 0.00 H new ATOM 0 HA HIS A 44 -7.509 4.236 1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.315 4.127 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -5.816 4.483 -1.368 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.255 6.477 -1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.656 9.171 1.138 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.134 8.865 -0.879 1.00 0.00 H new ATOM 599 N PHE A 45 -9.030 6.107 0.606 1.00 0.00 N ATOM 600 CA PHE A 45 -9.961 7.198 0.344 1.00 0.00 C ATOM 601 C PHE A 45 -9.215 8.512 0.134 1.00 0.00 C ATOM 602 O PHE A 45 -8.636 9.065 1.069 1.00 0.00 O ATOM 603 CB PHE A 45 -10.952 7.340 1.500 1.00 0.00 C ATOM 604 CG PHE A 45 -12.149 6.441 1.378 1.00 0.00 C ATOM 605 CD1 PHE A 45 -12.039 5.081 1.620 1.00 0.00 C ATOM 606 CD2 PHE A 45 -13.386 6.956 1.022 1.00 0.00 C ATOM 607 CE1 PHE A 45 -13.138 4.251 1.509 1.00 0.00 C ATOM 608 CE2 PHE A 45 -14.489 6.131 0.910 1.00 0.00 C ATOM 609 CZ PHE A 45 -14.365 4.776 1.152 1.00 0.00 C ATOM 0 H PHE A 45 -8.930 5.866 1.592 1.00 0.00 H new ATOM 0 HA PHE A 45 -10.509 6.963 -0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.439 7.123 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.289 8.375 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.082 4.665 1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.489 8.014 0.830 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -13.038 3.193 1.701 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.447 6.545 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 45 -15.225 4.129 1.062 1.00 0.00 H new ATOM 619 N TRP A 46 -9.232 9.005 -1.099 1.00 0.00 N ATOM 620 CA TRP A 46 -8.556 10.254 -1.432 1.00 0.00 C ATOM 621 C TRP A 46 -9.566 11.353 -1.744 1.00 0.00 C ATOM 622 O TRP A 46 -10.641 11.087 -2.281 1.00 0.00 O ATOM 623 CB TRP A 46 -7.622 10.049 -2.626 1.00 0.00 C ATOM 624 CG TRP A 46 -8.344 9.958 -3.936 1.00 0.00 C ATOM 625 CD1 TRP A 46 -8.888 8.837 -4.496 1.00 0.00 C ATOM 626 CD2 TRP A 46 -8.598 11.030 -4.851 1.00 0.00 C ATOM 627 NE1 TRP A 46 -9.465 9.148 -5.704 1.00 0.00 N ATOM 628 CE2 TRP A 46 -9.301 10.487 -5.944 1.00 0.00 C ATOM 629 CE3 TRP A 46 -8.302 12.395 -4.852 1.00 0.00 C ATOM 630 CZ2 TRP A 46 -9.711 11.263 -7.025 1.00 0.00 C ATOM 631 CZ3 TRP A 46 -8.709 13.164 -5.926 1.00 0.00 C ATOM 632 CH2 TRP A 46 -9.407 12.597 -7.000 1.00 0.00 C ATOM 0 H TRP A 46 -9.706 8.559 -1.885 1.00 0.00 H new ATOM 0 HA TRP A 46 -7.968 10.562 -0.568 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -6.911 10.874 -2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.044 9.137 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.868 7.852 -4.055 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -9.939 8.489 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.765 12.842 -4.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -10.250 10.828 -7.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -8.485 14.220 -5.937 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -9.711 13.225 -7.824 1.00 0.00 H new ATOM 643 N ALA A 47 -9.214 12.588 -1.402 1.00 0.00 N ATOM 644 CA ALA A 47 -10.089 13.727 -1.648 1.00 0.00 C ATOM 645 C ALA A 47 -9.324 14.879 -2.291 1.00 0.00 C ATOM 646 O ALA A 47 -8.161 15.135 -1.978 1.00 0.00 O ATOM 647 CB ALA A 47 -10.740 14.183 -0.350 1.00 0.00 C ATOM 0 H ALA A 47 -8.329 12.825 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.868 13.411 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.391 15.034 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.328 13.366 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.968 14.475 0.361 1.00 0.00 H new ATOM 653 N PRO A 48 -9.989 15.591 -3.213 1.00 0.00 N ATOM 654 CA PRO A 48 -9.390 16.727 -3.919 1.00 0.00 C ATOM 655 C PRO A 48 -9.173 17.929 -3.006 1.00 0.00 C ATOM 656 O PRO A 48 -8.639 18.954 -3.430 1.00 0.00 O ATOM 657 CB PRO A 48 -10.422 17.057 -5.000 1.00 0.00 C ATOM 658 CG PRO A 48 -11.715 16.558 -4.454 1.00 0.00 C ATOM 659 CD PRO A 48 -11.377 15.342 -3.636 1.00 0.00 C ATOM 0 HA PRO A 48 -8.402 16.487 -4.312 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.462 18.129 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.176 16.570 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.199 17.318 -3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.407 16.308 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.045 15.234 -2.781 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.460 14.427 -4.223 1.00 0.00 H new ATOM 667 N TRP A 49 -9.589 17.795 -1.752 1.00 0.00 N ATOM 668 CA TRP A 49 -9.439 18.871 -0.778 1.00 0.00 C ATOM 669 C TRP A 49 -8.392 18.513 0.271 1.00 0.00 C ATOM 670 O TRP A 49 -7.540 19.332 0.615 1.00 0.00 O ATOM 671 CB TRP A 49 -10.778 19.164 -0.101 1.00 0.00 C ATOM 672 CG TRP A 49 -11.364 17.974 0.597 1.00 0.00 C ATOM 673 CD1 TRP A 49 -12.259 17.080 0.081 1.00 0.00 C ATOM 674 CD2 TRP A 49 -11.098 17.550 1.938 1.00 0.00 C ATOM 675 NE1 TRP A 49 -12.565 16.126 1.021 1.00 0.00 N ATOM 676 CE2 TRP A 49 -11.865 16.391 2.169 1.00 0.00 C ATOM 677 CE3 TRP A 49 -10.284 18.034 2.965 1.00 0.00 C ATOM 678 CZ2 TRP A 49 -11.842 15.713 3.384 1.00 0.00 C ATOM 679 CZ3 TRP A 49 -10.262 17.360 4.172 1.00 0.00 C ATOM 680 CH2 TRP A 49 -11.036 16.210 4.373 1.00 0.00 C ATOM 0 H TRP A 49 -10.033 16.953 -1.385 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.105 19.763 -1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -10.643 19.970 0.621 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -11.485 19.522 -0.850 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -12.666 17.118 -0.919 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.209 15.347 0.886 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.683 18.919 2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -12.439 14.827 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.638 17.726 4.973 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -10.996 15.705 5.327 1.00 0.00 H new ATOM 691 N ALA A 50 -8.462 17.286 0.776 1.00 0.00 N ATOM 692 CA ALA A 50 -7.518 16.820 1.785 1.00 0.00 C ATOM 693 C ALA A 50 -6.089 16.847 1.254 1.00 0.00 C ATOM 694 O ALA A 50 -5.715 16.077 0.369 1.00 0.00 O ATOM 695 CB ALA A 50 -7.886 15.416 2.243 1.00 0.00 C ATOM 0 H ALA A 50 -9.162 16.597 0.503 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.573 17.496 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.173 15.080 2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.889 15.424 2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.860 14.737 1.391 1.00 0.00 H new ATOM 701 N PRO A 51 -5.270 17.755 1.805 1.00 0.00 N ATOM 702 CA PRO A 51 -3.869 17.905 1.402 1.00 0.00 C ATOM 703 C PRO A 51 -3.011 16.722 1.837 1.00 0.00 C ATOM 704 O PRO A 51 -1.861 16.591 1.419 1.00 0.00 O ATOM 705 CB PRO A 51 -3.426 19.181 2.122 1.00 0.00 C ATOM 706 CG PRO A 51 -4.331 19.282 3.302 1.00 0.00 C ATOM 707 CD PRO A 51 -5.648 18.706 2.864 1.00 0.00 C ATOM 0 HA PRO A 51 -3.760 17.952 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.381 19.121 2.428 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.519 20.054 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.927 18.731 4.152 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -4.445 20.319 3.619 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.162 18.208 3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.320 19.478 2.489 1.00 0.00 H new ATOM 715 N GLN A 52 -3.577 15.864 2.679 1.00 0.00 N ATOM 716 CA GLN A 52 -2.863 14.692 3.171 1.00 0.00 C ATOM 717 C GLN A 52 -2.593 13.705 2.040 1.00 0.00 C ATOM 718 O GLN A 52 -1.463 13.248 1.859 1.00 0.00 O ATOM 719 CB GLN A 52 -3.664 14.008 4.280 1.00 0.00 C ATOM 720 CG GLN A 52 -3.847 14.871 5.519 1.00 0.00 C ATOM 721 CD GLN A 52 -4.928 14.344 6.442 1.00 0.00 C ATOM 722 OE1 GLN A 52 -4.528 13.557 7.434 1.00 0.00 O flip ATOM 723 NE2 GLN A 52 -6.110 14.642 6.266 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.528 15.958 3.035 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.907 15.024 3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.644 13.732 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.161 13.083 4.563 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.904 14.924 6.063 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.097 15.888 5.216 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.373 15.250 5.490 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.826 14.281 6.896 1.00 0.00 H new ATOM 732 N CYS A 53 -3.635 13.380 1.283 1.00 0.00 N ATOM 733 CA CYS A 53 -3.510 12.446 0.170 1.00 0.00 C ATOM 734 C CYS A 53 -2.197 12.661 -0.575 1.00 0.00 C ATOM 735 O CYS A 53 -1.598 11.714 -1.084 1.00 0.00 O ATOM 736 CB CYS A 53 -4.689 12.605 -0.791 1.00 0.00 C ATOM 737 SG CYS A 53 -4.481 11.737 -2.363 1.00 0.00 S ATOM 0 H CYS A 53 -4.576 13.750 1.420 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.515 11.434 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.593 12.240 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.841 13.666 -0.991 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.284 12.246 -3.249 1.00 0.00 H new ATOM 743 N ALA A 54 -1.756 13.913 -0.638 1.00 0.00 N ATOM 744 CA ALA A 54 -0.514 14.252 -1.321 1.00 0.00 C ATOM 745 C ALA A 54 0.538 13.168 -1.118 1.00 0.00 C ATOM 746 O ALA A 54 0.880 12.440 -2.050 1.00 0.00 O ATOM 747 CB ALA A 54 0.008 15.595 -0.831 1.00 0.00 C ATOM 0 H ALA A 54 -2.241 14.709 -0.224 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.723 14.323 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.936 15.836 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.732 16.369 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.195 15.543 0.242 1.00 0.00 H new ATOM 753 N GLN A 55 1.048 13.066 0.105 1.00 0.00 N ATOM 754 CA GLN A 55 2.063 12.070 0.429 1.00 0.00 C ATOM 755 C GLN A 55 1.466 10.667 0.437 1.00 0.00 C ATOM 756 O GLN A 55 1.980 9.759 -0.215 1.00 0.00 O ATOM 757 CB GLN A 55 2.694 12.377 1.788 1.00 0.00 C ATOM 758 CG GLN A 55 1.682 12.486 2.917 1.00 0.00 C ATOM 759 CD GLN A 55 2.301 12.984 4.209 1.00 0.00 C ATOM 760 OE1 GLN A 55 3.596 12.744 4.377 1.00 0.00 O flip ATOM 761 NE2 GLN A 55 1.622 13.579 5.046 1.00 0.00 N flip ATOM 0 H GLN A 55 0.775 13.660 0.888 1.00 0.00 H new ATOM 0 HA GLN A 55 2.835 12.112 -0.339 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.414 11.595 2.030 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.250 13.312 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.881 13.162 2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.228 11.510 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.630 13.742 4.875 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.052 13.909 5.910 1.00 0.00 H new ATOM 770 N MET A 56 0.378 10.497 1.181 1.00 0.00 N ATOM 771 CA MET A 56 -0.290 9.204 1.273 1.00 0.00 C ATOM 772 C MET A 56 -0.393 8.546 -0.099 1.00 0.00 C ATOM 773 O MET A 56 -0.451 7.322 -0.207 1.00 0.00 O ATOM 774 CB MET A 56 -1.685 9.368 1.879 1.00 0.00 C ATOM 775 CG MET A 56 -1.691 10.130 3.194 1.00 0.00 C ATOM 776 SD MET A 56 -0.257 9.754 4.221 1.00 0.00 S ATOM 777 CE MET A 56 -0.301 7.964 4.220 1.00 0.00 C ATOM 0 H MET A 56 -0.060 11.238 1.729 1.00 0.00 H new ATOM 0 HA MET A 56 0.306 8.561 1.921 1.00 0.00 H new ATOM 0 HB2 MET A 56 -2.324 9.888 1.165 1.00 0.00 H new ATOM 0 HB3 MET A 56 -2.121 8.382 2.038 1.00 0.00 H new ATOM 0 HG2 MET A 56 -1.716 11.200 2.989 1.00 0.00 H new ATOM 0 HG3 MET A 56 -2.600 9.890 3.745 1.00 0.00 H new ATOM 0 HE1 MET A 56 0.715 7.575 4.282 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.876 7.614 5.077 1.00 0.00 H new ATOM 0 HE3 MET A 56 -0.769 7.612 3.301 1.00 0.00 H new ATOM 787 N ASN A 57 -0.414 9.367 -1.144 1.00 0.00 N ATOM 788 CA ASN A 57 -0.511 8.863 -2.509 1.00 0.00 C ATOM 789 C ASN A 57 0.813 8.251 -2.958 1.00 0.00 C ATOM 790 O ASN A 57 0.893 7.054 -3.230 1.00 0.00 O ATOM 791 CB ASN A 57 -0.914 9.990 -3.463 1.00 0.00 C ATOM 792 CG ASN A 57 -0.895 9.553 -4.915 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.861 8.359 -5.215 1.00 0.00 O ATOM 794 ND2 ASN A 57 -0.918 10.520 -5.824 1.00 0.00 N ATOM 0 H ASN A 57 -0.365 10.383 -1.072 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.276 8.087 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.913 10.341 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.236 10.833 -3.331 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.908 10.287 -6.817 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.946 11.496 -5.530 1.00 0.00 H new ATOM 801 N GLU A 58 1.848 9.082 -3.033 1.00 0.00 N ATOM 802 CA GLU A 58 3.167 8.622 -3.449 1.00 0.00 C ATOM 803 C GLU A 58 3.623 7.438 -2.601 1.00 0.00 C ATOM 804 O GLU A 58 4.397 6.595 -3.056 1.00 0.00 O ATOM 805 CB GLU A 58 4.185 9.760 -3.345 1.00 0.00 C ATOM 806 CG GLU A 58 4.715 9.976 -1.938 1.00 0.00 C ATOM 807 CD GLU A 58 5.918 9.108 -1.627 1.00 0.00 C ATOM 808 OE1 GLU A 58 6.124 8.103 -2.340 1.00 0.00 O ATOM 809 OE2 GLU A 58 6.654 9.432 -0.672 1.00 0.00 O ATOM 0 H GLU A 58 1.798 10.076 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 58 3.100 8.298 -4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.022 9.550 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.723 10.683 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.986 11.024 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.923 9.764 -1.219 1.00 0.00 H new ATOM 816 N VAL A 59 3.139 7.382 -1.365 1.00 0.00 N ATOM 817 CA VAL A 59 3.495 6.302 -0.452 1.00 0.00 C ATOM 818 C VAL A 59 2.958 4.964 -0.948 1.00 0.00 C ATOM 819 O VAL A 59 3.622 3.935 -0.829 1.00 0.00 O ATOM 820 CB VAL A 59 2.956 6.565 0.966 1.00 0.00 C ATOM 821 CG1 VAL A 59 3.313 5.415 1.895 1.00 0.00 C ATOM 822 CG2 VAL A 59 3.495 7.882 1.505 1.00 0.00 C ATOM 0 H VAL A 59 2.499 8.072 -0.972 1.00 0.00 H new ATOM 0 HA VAL A 59 4.584 6.263 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 59 1.870 6.636 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.924 5.619 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.875 4.492 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.397 5.309 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.104 8.052 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.584 7.842 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.184 8.697 0.851 1.00 0.00 H new ATOM 832 N MET A 60 1.751 4.987 -1.504 1.00 0.00 N ATOM 833 CA MET A 60 1.125 3.775 -2.020 1.00 0.00 C ATOM 834 C MET A 60 1.784 3.335 -3.323 1.00 0.00 C ATOM 835 O MET A 60 1.993 2.144 -3.553 1.00 0.00 O ATOM 836 CB MET A 60 -0.371 4.003 -2.243 1.00 0.00 C ATOM 837 CG MET A 60 -1.165 4.130 -0.954 1.00 0.00 C ATOM 838 SD MET A 60 -2.862 3.542 -1.122 1.00 0.00 S ATOM 839 CE MET A 60 -3.292 4.207 -2.729 1.00 0.00 C ATOM 0 H MET A 60 1.187 5.831 -1.609 1.00 0.00 H new ATOM 0 HA MET A 60 1.258 2.985 -1.281 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.508 4.908 -2.835 1.00 0.00 H new ATOM 0 HB3 MET A 60 -0.773 3.176 -2.828 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.665 3.565 -0.167 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.176 5.174 -0.640 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.377 4.230 -2.835 1.00 0.00 H new ATOM 0 HE2 MET A 60 -2.896 5.218 -2.822 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.865 3.577 -3.509 1.00 0.00 H new ATOM 849 N ALA A 61 2.110 4.303 -4.173 1.00 0.00 N ATOM 850 CA ALA A 61 2.747 4.015 -5.452 1.00 0.00 C ATOM 851 C ALA A 61 3.977 3.133 -5.267 1.00 0.00 C ATOM 852 O ALA A 61 4.110 2.095 -5.913 1.00 0.00 O ATOM 853 CB ALA A 61 3.124 5.310 -6.157 1.00 0.00 C ATOM 0 H ALA A 61 1.943 5.294 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 61 2.033 3.472 -6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.599 5.080 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.227 5.904 -6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.817 5.875 -5.534 1.00 0.00 H new ATOM 859 N GLU A 62 4.874 3.556 -4.381 1.00 0.00 N ATOM 860 CA GLU A 62 6.094 2.804 -4.113 1.00 0.00 C ATOM 861 C GLU A 62 5.769 1.394 -3.626 1.00 0.00 C ATOM 862 O GLU A 62 6.421 0.425 -4.017 1.00 0.00 O ATOM 863 CB GLU A 62 6.949 3.530 -3.072 1.00 0.00 C ATOM 864 CG GLU A 62 7.502 4.859 -3.558 1.00 0.00 C ATOM 865 CD GLU A 62 8.619 5.383 -2.677 1.00 0.00 C ATOM 866 OE1 GLU A 62 8.328 5.806 -1.539 1.00 0.00 O ATOM 867 OE2 GLU A 62 9.784 5.371 -3.126 1.00 0.00 O ATOM 0 H GLU A 62 4.779 4.414 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 62 6.655 2.728 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.350 3.701 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.779 2.885 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.872 4.744 -4.577 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.697 5.593 -3.592 1.00 0.00 H new ATOM 874 N LEU A 63 4.758 1.289 -2.772 1.00 0.00 N ATOM 875 CA LEU A 63 4.345 -0.002 -2.230 1.00 0.00 C ATOM 876 C LEU A 63 3.753 -0.886 -3.323 1.00 0.00 C ATOM 877 O LEU A 63 3.969 -2.098 -3.339 1.00 0.00 O ATOM 878 CB LEU A 63 3.323 0.196 -1.109 1.00 0.00 C ATOM 879 CG LEU A 63 3.814 0.965 0.118 1.00 0.00 C ATOM 880 CD1 LEU A 63 2.650 1.310 1.033 1.00 0.00 C ATOM 881 CD2 LEU A 63 4.863 0.158 0.868 1.00 0.00 C ATOM 0 H LEU A 63 4.209 2.081 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 63 5.227 -0.497 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.460 0.720 -1.520 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.976 -0.785 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 63 4.272 1.895 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.019 1.857 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.933 1.928 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.162 0.393 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.201 0.721 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.430 -0.788 1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.710 -0.037 0.211 1.00 0.00 H new ATOM 893 N ALA A 64 3.007 -0.272 -4.235 1.00 0.00 N ATOM 894 CA ALA A 64 2.388 -1.002 -5.334 1.00 0.00 C ATOM 895 C ALA A 64 3.403 -1.893 -6.042 1.00 0.00 C ATOM 896 O ALA A 64 3.216 -3.106 -6.143 1.00 0.00 O ATOM 897 CB ALA A 64 1.753 -0.033 -6.321 1.00 0.00 C ATOM 0 H ALA A 64 2.817 0.730 -4.234 1.00 0.00 H new ATOM 0 HA ALA A 64 1.609 -1.642 -4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.295 -0.593 -7.136 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.991 0.557 -5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.518 0.631 -6.722 1.00 0.00 H new ATOM 903 N LYS A 65 4.477 -1.284 -6.532 1.00 0.00 N ATOM 904 CA LYS A 65 5.523 -2.021 -7.231 1.00 0.00 C ATOM 905 C LYS A 65 6.278 -2.936 -6.272 1.00 0.00 C ATOM 906 O LYS A 65 6.544 -4.095 -6.586 1.00 0.00 O ATOM 907 CB LYS A 65 6.498 -1.051 -7.902 1.00 0.00 C ATOM 908 CG LYS A 65 7.161 -0.088 -6.933 1.00 0.00 C ATOM 909 CD LYS A 65 7.741 1.117 -7.654 1.00 0.00 C ATOM 910 CE LYS A 65 6.700 2.210 -7.840 1.00 0.00 C ATOM 911 NZ LYS A 65 5.930 2.034 -9.103 1.00 0.00 N ATOM 0 H LYS A 65 4.646 -0.281 -6.458 1.00 0.00 H new ATOM 0 HA LYS A 65 5.050 -2.637 -7.996 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.269 -1.623 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.964 -0.479 -8.661 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.432 0.245 -6.194 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.953 -0.604 -6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.585 1.510 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.125 0.810 -8.627 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.014 2.206 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.192 3.183 -7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.849 2.949 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.423 1.356 -9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.979 1.674 -8.883 1.00 0.00 H new ATOM 925 N GLU A 66 6.619 -2.406 -5.101 1.00 0.00 N ATOM 926 CA GLU A 66 7.343 -3.176 -4.096 1.00 0.00 C ATOM 927 C GLU A 66 6.644 -4.504 -3.821 1.00 0.00 C ATOM 928 O GLU A 66 7.288 -5.550 -3.726 1.00 0.00 O ATOM 929 CB GLU A 66 7.467 -2.374 -2.799 1.00 0.00 C ATOM 930 CG GLU A 66 8.266 -3.084 -1.719 1.00 0.00 C ATOM 931 CD GLU A 66 9.619 -3.560 -2.212 1.00 0.00 C ATOM 932 OE1 GLU A 66 9.678 -4.644 -2.829 1.00 0.00 O ATOM 933 OE2 GLU A 66 10.618 -2.848 -1.981 1.00 0.00 O ATOM 0 H GLU A 66 6.406 -1.447 -4.825 1.00 0.00 H new ATOM 0 HA GLU A 66 8.341 -3.384 -4.483 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.939 -1.416 -3.018 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.469 -2.158 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.408 -2.409 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.696 -3.938 -1.353 1.00 0.00 H new ATOM 940 N LEU A 67 5.322 -4.455 -3.694 1.00 0.00 N ATOM 941 CA LEU A 67 4.534 -5.654 -3.429 1.00 0.00 C ATOM 942 C LEU A 67 3.585 -5.948 -4.587 1.00 0.00 C ATOM 943 O LEU A 67 2.474 -5.424 -4.659 1.00 0.00 O ATOM 944 CB LEU A 67 3.740 -5.490 -2.132 1.00 0.00 C ATOM 945 CG LEU A 67 4.536 -5.025 -0.912 1.00 0.00 C ATOM 946 CD1 LEU A 67 3.602 -4.489 0.162 1.00 0.00 C ATOM 947 CD2 LEU A 67 5.384 -6.164 -0.364 1.00 0.00 C ATOM 0 H LEU A 67 4.774 -3.598 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 67 5.220 -6.494 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.936 -4.776 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.272 -6.445 -1.893 1.00 0.00 H new ATOM 0 HG LEU A 67 5.201 -4.219 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.186 -4.163 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.038 -3.645 -0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.912 -5.275 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.944 -5.816 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.737 -6.991 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.079 -6.502 -1.132 1.00 0.00 H new ATOM 959 N PRO A 68 4.031 -6.809 -5.514 1.00 0.00 N ATOM 960 CA PRO A 68 3.236 -7.195 -6.683 1.00 0.00 C ATOM 961 C PRO A 68 2.040 -8.065 -6.310 1.00 0.00 C ATOM 962 O PRO A 68 1.114 -8.235 -7.102 1.00 0.00 O ATOM 963 CB PRO A 68 4.226 -7.987 -7.540 1.00 0.00 C ATOM 964 CG PRO A 68 5.230 -8.512 -6.572 1.00 0.00 C ATOM 965 CD PRO A 68 5.346 -7.472 -5.491 1.00 0.00 C ATOM 0 HA PRO A 68 2.810 -6.329 -7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.728 -8.797 -8.073 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.695 -7.352 -8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 68 4.911 -9.469 -6.160 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.191 -8.678 -7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.552 -7.923 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.154 -6.769 -5.694 1.00 0.00 H new ATOM 973 N GLN A 69 2.067 -8.611 -5.098 1.00 0.00 N ATOM 974 CA GLN A 69 0.985 -9.463 -4.621 1.00 0.00 C ATOM 975 C GLN A 69 -0.081 -8.640 -3.904 1.00 0.00 C ATOM 976 O GLN A 69 -0.895 -9.178 -3.154 1.00 0.00 O ATOM 977 CB GLN A 69 1.531 -10.540 -3.682 1.00 0.00 C ATOM 978 CG GLN A 69 2.202 -9.980 -2.439 1.00 0.00 C ATOM 979 CD GLN A 69 3.204 -10.943 -1.832 1.00 0.00 C ATOM 980 OE1 GLN A 69 2.923 -12.131 -1.675 1.00 0.00 O ATOM 981 NE2 GLN A 69 4.381 -10.433 -1.488 1.00 0.00 N ATOM 0 H GLN A 69 2.826 -8.478 -4.430 1.00 0.00 H new ATOM 0 HA GLN A 69 0.527 -9.943 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.714 -11.195 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.248 -11.155 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.707 -9.048 -2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.441 -9.739 -1.697 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.570 -9.442 -1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.096 -11.033 -1.075 1.00 0.00 H new ATOM 990 N VAL A 70 -0.069 -7.332 -4.140 1.00 0.00 N ATOM 991 CA VAL A 70 -1.034 -6.434 -3.517 1.00 0.00 C ATOM 992 C VAL A 70 -1.765 -5.601 -4.564 1.00 0.00 C ATOM 993 O VAL A 70 -1.264 -5.398 -5.671 1.00 0.00 O ATOM 994 CB VAL A 70 -0.353 -5.489 -2.509 1.00 0.00 C ATOM 995 CG1 VAL A 70 -1.312 -4.392 -2.073 1.00 0.00 C ATOM 996 CG2 VAL A 70 0.157 -6.271 -1.308 1.00 0.00 C ATOM 0 H VAL A 70 0.598 -6.871 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.753 -7.060 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 70 0.501 -5.019 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.813 -3.734 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.624 -3.815 -2.943 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.187 -4.840 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.635 -5.588 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.679 -6.770 -0.817 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.880 -7.016 -1.639 1.00 0.00 H new ATOM 1006 N SER A 71 -2.951 -5.120 -4.208 1.00 0.00 N ATOM 1007 CA SER A 71 -3.753 -4.311 -5.118 1.00 0.00 C ATOM 1008 C SER A 71 -4.122 -2.976 -4.477 1.00 0.00 C ATOM 1009 O SER A 71 -5.010 -2.907 -3.627 1.00 0.00 O ATOM 1010 CB SER A 71 -5.023 -5.065 -5.520 1.00 0.00 C ATOM 1011 OG SER A 71 -4.711 -6.340 -6.054 1.00 0.00 O ATOM 0 H SER A 71 -3.378 -5.276 -3.295 1.00 0.00 H new ATOM 0 HA SER A 71 -3.158 -4.114 -6.010 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.672 -5.180 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.577 -4.484 -6.257 1.00 0.00 H new ATOM 0 HG SER A 71 -5.254 -7.023 -5.609 1.00 0.00 H new ATOM 1017 N PHE A 72 -3.433 -1.918 -4.891 1.00 0.00 N ATOM 1018 CA PHE A 72 -3.685 -0.585 -4.358 1.00 0.00 C ATOM 1019 C PHE A 72 -4.702 0.161 -5.217 1.00 0.00 C ATOM 1020 O PHE A 72 -4.447 0.458 -6.384 1.00 0.00 O ATOM 1021 CB PHE A 72 -2.382 0.213 -4.283 1.00 0.00 C ATOM 1022 CG PHE A 72 -1.365 -0.385 -3.353 1.00 0.00 C ATOM 1023 CD1 PHE A 72 -0.566 -1.440 -3.765 1.00 0.00 C ATOM 1024 CD2 PHE A 72 -1.209 0.106 -2.067 1.00 0.00 C ATOM 1025 CE1 PHE A 72 0.369 -1.993 -2.911 1.00 0.00 C ATOM 1026 CE2 PHE A 72 -0.274 -0.442 -1.209 1.00 0.00 C ATOM 1027 CZ PHE A 72 0.516 -1.493 -1.632 1.00 0.00 C ATOM 0 H PHE A 72 -2.695 -1.958 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.094 -0.695 -3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.951 0.285 -5.282 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.606 1.229 -3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.675 -1.834 -4.765 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.825 0.927 -1.731 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.985 -2.816 -3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.161 -0.049 -0.209 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.247 -1.923 -0.964 1.00 0.00 H new ATOM 1037 N VAL A 73 -5.858 0.459 -4.631 1.00 0.00 N ATOM 1038 CA VAL A 73 -6.914 1.170 -5.341 1.00 0.00 C ATOM 1039 C VAL A 73 -7.360 2.406 -4.569 1.00 0.00 C ATOM 1040 O VAL A 73 -7.748 2.318 -3.404 1.00 0.00 O ATOM 1041 CB VAL A 73 -8.135 0.263 -5.586 1.00 0.00 C ATOM 1042 CG1 VAL A 73 -7.876 -0.678 -6.752 1.00 0.00 C ATOM 1043 CG2 VAL A 73 -8.478 -0.518 -4.326 1.00 0.00 C ATOM 0 H VAL A 73 -6.086 0.219 -3.666 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.499 1.475 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.988 0.892 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.749 -1.311 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.682 -0.096 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.011 -1.303 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.343 -1.154 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.628 -1.137 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.709 0.177 -3.519 1.00 0.00 H new ATOM 1053 N LYS A 74 -7.302 3.560 -5.226 1.00 0.00 N ATOM 1054 CA LYS A 74 -7.701 4.816 -4.603 1.00 0.00 C ATOM 1055 C LYS A 74 -9.074 5.258 -5.099 1.00 0.00 C ATOM 1056 O LYS A 74 -9.290 5.415 -6.302 1.00 0.00 O ATOM 1057 CB LYS A 74 -6.667 5.906 -4.895 1.00 0.00 C ATOM 1058 CG LYS A 74 -6.649 6.354 -6.347 1.00 0.00 C ATOM 1059 CD LYS A 74 -5.390 7.139 -6.672 1.00 0.00 C ATOM 1060 CE LYS A 74 -5.632 8.142 -7.790 1.00 0.00 C ATOM 1061 NZ LYS A 74 -4.402 8.384 -8.594 1.00 0.00 N ATOM 0 H LYS A 74 -6.982 3.651 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.757 4.656 -3.526 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.871 6.768 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.677 5.538 -4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.714 5.483 -6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.525 6.970 -6.550 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.046 7.663 -5.780 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -4.596 6.451 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.425 7.775 -8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.979 9.084 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.608 9.073 -9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.652 8.758 -7.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.085 7.490 -9.021 1.00 0.00 H new ATOM 1075 N LEU A 75 -9.999 5.458 -4.167 1.00 0.00 N ATOM 1076 CA LEU A 75 -11.352 5.883 -4.510 1.00 0.00 C ATOM 1077 C LEU A 75 -11.648 7.267 -3.940 1.00 0.00 C ATOM 1078 O LEU A 75 -11.326 7.555 -2.788 1.00 0.00 O ATOM 1079 CB LEU A 75 -12.374 4.873 -3.986 1.00 0.00 C ATOM 1080 CG LEU A 75 -13.829 5.342 -3.961 1.00 0.00 C ATOM 1081 CD1 LEU A 75 -14.772 4.164 -4.152 1.00 0.00 C ATOM 1082 CD2 LEU A 75 -14.134 6.066 -2.658 1.00 0.00 C ATOM 0 H LEU A 75 -9.837 5.333 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.426 5.934 -5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.314 3.974 -4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.088 4.588 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.980 6.040 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.803 4.516 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.570 3.688 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -14.619 3.442 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.174 6.393 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.966 5.391 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.481 6.934 -2.562 1.00 0.00 H new ATOM 1094 N GLU A 76 -12.266 8.117 -4.754 1.00 0.00 N ATOM 1095 CA GLU A 76 -12.608 9.469 -4.329 1.00 0.00 C ATOM 1096 C GLU A 76 -13.941 9.486 -3.587 1.00 0.00 C ATOM 1097 O GLU A 76 -15.002 9.325 -4.191 1.00 0.00 O ATOM 1098 CB GLU A 76 -12.672 10.406 -5.537 1.00 0.00 C ATOM 1099 CG GLU A 76 -12.304 11.844 -5.212 1.00 0.00 C ATOM 1100 CD GLU A 76 -13.440 12.603 -4.555 1.00 0.00 C ATOM 1101 OE1 GLU A 76 -14.319 13.104 -5.287 1.00 0.00 O ATOM 1102 OE2 GLU A 76 -13.450 12.696 -3.310 1.00 0.00 O ATOM 0 H GLU A 76 -12.540 7.893 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 76 -11.830 9.816 -3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.000 10.034 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -13.680 10.383 -5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.437 11.853 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.012 12.356 -6.129 1.00 0.00 H new ATOM 1109 N ALA A 77 -13.879 9.682 -2.275 1.00 0.00 N ATOM 1110 CA ALA A 77 -15.080 9.721 -1.450 1.00 0.00 C ATOM 1111 C ALA A 77 -16.181 10.534 -2.123 1.00 0.00 C ATOM 1112 O ALA A 77 -17.309 10.064 -2.270 1.00 0.00 O ATOM 1113 CB ALA A 77 -14.760 10.297 -0.078 1.00 0.00 C ATOM 0 H ALA A 77 -13.009 9.816 -1.760 1.00 0.00 H new ATOM 0 HA ALA A 77 -15.441 8.700 -1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.666 10.320 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.012 9.674 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.373 11.310 -0.190 1.00 0.00 H new ATOM 1119 N GLU A 78 -15.846 11.755 -2.528 1.00 0.00 N ATOM 1120 CA GLU A 78 -16.809 12.632 -3.184 1.00 0.00 C ATOM 1121 C GLU A 78 -17.129 12.134 -4.590 1.00 0.00 C ATOM 1122 O GLU A 78 -18.197 12.415 -5.132 1.00 0.00 O ATOM 1123 CB GLU A 78 -16.267 14.062 -3.249 1.00 0.00 C ATOM 1124 CG GLU A 78 -16.471 14.849 -1.965 1.00 0.00 C ATOM 1125 CD GLU A 78 -17.811 15.558 -1.922 1.00 0.00 C ATOM 1126 OE1 GLU A 78 -18.765 15.060 -2.555 1.00 0.00 O ATOM 1127 OE2 GLU A 78 -17.905 16.610 -1.256 1.00 0.00 O ATOM 0 H GLU A 78 -14.916 12.159 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 78 -17.727 12.625 -2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.202 14.028 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.754 14.589 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.394 14.173 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.672 15.583 -1.863 1.00 0.00 H new ATOM 1134 N GLY A 79 -16.194 11.391 -5.176 1.00 0.00 N ATOM 1135 CA GLY A 79 -16.395 10.866 -6.514 1.00 0.00 C ATOM 1136 C GLY A 79 -17.374 9.709 -6.542 1.00 0.00 C ATOM 1137 O GLY A 79 -18.421 9.788 -7.184 1.00 0.00 O ATOM 0 H GLY A 79 -15.302 11.144 -4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -16.760 11.663 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -15.438 10.538 -6.920 1.00 0.00 H new ATOM 1141 N VAL A 80 -17.034 8.630 -5.844 1.00 0.00 N ATOM 1142 CA VAL A 80 -17.891 7.452 -5.791 1.00 0.00 C ATOM 1143 C VAL A 80 -18.552 7.313 -4.425 1.00 0.00 C ATOM 1144 O VAL A 80 -18.102 6.556 -3.564 1.00 0.00 O ATOM 1145 CB VAL A 80 -17.098 6.167 -6.099 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -18.013 4.953 -6.060 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -16.404 6.280 -7.448 1.00 0.00 C ATOM 0 H VAL A 80 -16.171 8.548 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 80 -18.661 7.587 -6.551 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.333 6.040 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.436 4.055 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -18.458 4.865 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -18.802 5.068 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -15.849 5.364 -7.649 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.149 6.432 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.716 7.125 -7.434 1.00 0.00 H new ATOM 1157 N PRO A 81 -19.646 8.061 -4.218 1.00 0.00 N ATOM 1158 CA PRO A 81 -20.394 8.039 -2.958 1.00 0.00 C ATOM 1159 C PRO A 81 -21.134 6.722 -2.746 1.00 0.00 C ATOM 1160 O PRO A 81 -21.305 6.272 -1.614 1.00 0.00 O ATOM 1161 CB PRO A 81 -21.388 9.192 -3.114 1.00 0.00 C ATOM 1162 CG PRO A 81 -21.563 9.344 -4.586 1.00 0.00 C ATOM 1163 CD PRO A 81 -20.238 8.986 -5.200 1.00 0.00 C ATOM 0 HA PRO A 81 -19.738 8.139 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -22.335 8.967 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -21.006 10.108 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -22.353 8.690 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -21.849 10.364 -4.842 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -20.361 8.513 -6.174 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -19.613 9.867 -5.350 1.00 0.00 H new ATOM 1171 N GLU A 82 -21.570 6.111 -3.843 1.00 0.00 N ATOM 1172 CA GLU A 82 -22.292 4.846 -3.775 1.00 0.00 C ATOM 1173 C GLU A 82 -21.613 3.882 -2.806 1.00 0.00 C ATOM 1174 O GLU A 82 -22.277 3.175 -2.048 1.00 0.00 O ATOM 1175 CB GLU A 82 -22.382 4.210 -5.164 1.00 0.00 C ATOM 1176 CG GLU A 82 -23.084 2.862 -5.172 1.00 0.00 C ATOM 1177 CD GLU A 82 -24.594 2.990 -5.156 1.00 0.00 C ATOM 1178 OE1 GLU A 82 -25.108 3.849 -4.409 1.00 0.00 O ATOM 1179 OE2 GLU A 82 -25.263 2.232 -5.889 1.00 0.00 O ATOM 0 H GLU A 82 -21.436 6.471 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 82 -23.298 5.051 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -22.911 4.890 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -21.376 4.088 -5.565 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -22.780 2.304 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -22.763 2.284 -4.305 1.00 0.00 H new ATOM 1186 N VAL A 83 -20.284 3.860 -2.837 1.00 0.00 N ATOM 1187 CA VAL A 83 -19.513 2.985 -1.962 1.00 0.00 C ATOM 1188 C VAL A 83 -19.324 3.612 -0.586 1.00 0.00 C ATOM 1189 O VAL A 83 -19.595 2.983 0.437 1.00 0.00 O ATOM 1190 CB VAL A 83 -18.131 2.665 -2.563 1.00 0.00 C ATOM 1191 CG1 VAL A 83 -17.302 1.843 -1.589 1.00 0.00 C ATOM 1192 CG2 VAL A 83 -18.284 1.940 -3.892 1.00 0.00 C ATOM 0 H VAL A 83 -19.719 4.438 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 83 -20.080 2.059 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 83 -17.607 3.603 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.329 1.627 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -17.164 2.404 -0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.818 0.908 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -17.298 1.721 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.828 1.008 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -18.836 2.571 -4.589 1.00 0.00 H new ATOM 1202 N SER A 84 -18.856 4.856 -0.568 1.00 0.00 N ATOM 1203 CA SER A 84 -18.627 5.569 0.684 1.00 0.00 C ATOM 1204 C SER A 84 -19.804 5.384 1.637 1.00 0.00 C ATOM 1205 O SER A 84 -19.619 5.218 2.842 1.00 0.00 O ATOM 1206 CB SER A 84 -18.404 7.058 0.414 1.00 0.00 C ATOM 1207 OG SER A 84 -17.293 7.260 -0.443 1.00 0.00 O ATOM 0 H SER A 84 -18.628 5.391 -1.406 1.00 0.00 H new ATOM 0 HA SER A 84 -17.734 5.154 1.152 1.00 0.00 H new ATOM 0 HB2 SER A 84 -19.298 7.487 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.240 7.581 1.356 1.00 0.00 H new ATOM 0 HG SER A 84 -17.552 7.061 -1.367 1.00 0.00 H new ATOM 1213 N GLU A 85 -21.014 5.415 1.087 1.00 0.00 N ATOM 1214 CA GLU A 85 -22.221 5.252 1.889 1.00 0.00 C ATOM 1215 C GLU A 85 -22.227 3.898 2.594 1.00 0.00 C ATOM 1216 O GLU A 85 -22.296 3.824 3.821 1.00 0.00 O ATOM 1217 CB GLU A 85 -23.466 5.387 1.010 1.00 0.00 C ATOM 1218 CG GLU A 85 -24.704 5.831 1.771 1.00 0.00 C ATOM 1219 CD GLU A 85 -24.744 7.330 1.997 1.00 0.00 C ATOM 1220 OE1 GLU A 85 -23.723 7.890 2.447 1.00 0.00 O ATOM 1221 OE2 GLU A 85 -25.798 7.942 1.722 1.00 0.00 O ATOM 0 H GLU A 85 -21.184 5.551 0.091 1.00 0.00 H new ATOM 0 HA GLU A 85 -22.232 6.036 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -23.263 6.104 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -23.668 4.429 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -25.593 5.527 1.219 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -24.736 5.321 2.734 1.00 0.00 H new ATOM 1228 N LYS A 86 -22.155 2.829 1.809 1.00 0.00 N ATOM 1229 CA LYS A 86 -22.151 1.477 2.355 1.00 0.00 C ATOM 1230 C LYS A 86 -21.326 1.410 3.636 1.00 0.00 C ATOM 1231 O LYS A 86 -21.850 1.104 4.708 1.00 0.00 O ATOM 1232 CB LYS A 86 -21.595 0.490 1.325 1.00 0.00 C ATOM 1233 CG LYS A 86 -21.877 -0.964 1.663 1.00 0.00 C ATOM 1234 CD LYS A 86 -20.812 -1.885 1.092 1.00 0.00 C ATOM 1235 CE LYS A 86 -20.712 -3.180 1.884 1.00 0.00 C ATOM 1236 NZ LYS A 86 -21.685 -4.199 1.404 1.00 0.00 N ATOM 0 H LYS A 86 -22.099 2.873 0.791 1.00 0.00 H new ATOM 0 HA LYS A 86 -23.180 1.205 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -22.023 0.717 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -20.518 0.633 1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -21.922 -1.085 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -22.853 -1.247 1.270 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -21.045 -2.111 0.051 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.848 -1.377 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.700 -3.578 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.891 -2.975 2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.586 -5.067 1.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -22.652 -3.830 1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -21.498 -4.414 0.404 1.00 0.00 H new ATOM 1250 N TYR A 87 -20.035 1.699 3.518 1.00 0.00 N ATOM 1251 CA TYR A 87 -19.138 1.670 4.667 1.00 0.00 C ATOM 1252 C TYR A 87 -19.276 2.942 5.499 1.00 0.00 C ATOM 1253 O TYR A 87 -18.810 3.007 6.635 1.00 0.00 O ATOM 1254 CB TYR A 87 -17.689 1.505 4.206 1.00 0.00 C ATOM 1255 CG TYR A 87 -17.441 0.229 3.433 1.00 0.00 C ATOM 1256 CD1 TYR A 87 -17.641 0.175 2.059 1.00 0.00 C ATOM 1257 CD2 TYR A 87 -17.007 -0.923 4.078 1.00 0.00 C ATOM 1258 CE1 TYR A 87 -17.417 -0.989 1.350 1.00 0.00 C ATOM 1259 CE2 TYR A 87 -16.779 -2.091 3.376 1.00 0.00 C ATOM 1260 CZ TYR A 87 -16.986 -2.119 2.013 1.00 0.00 C ATOM 1261 OH TYR A 87 -16.760 -3.280 1.309 1.00 0.00 O ATOM 0 H TYR A 87 -19.586 1.956 2.639 1.00 0.00 H new ATOM 0 HA TYR A 87 -19.414 0.818 5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -17.416 2.356 3.583 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -17.035 1.525 5.078 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -17.977 1.058 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -16.845 -0.905 5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -17.578 -1.014 0.282 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -16.440 -2.977 3.892 1.00 0.00 H new ATOM 0 HH TYR A 87 -15.864 -3.619 1.517 1.00 0.00 H new ATOM 1271 N GLU A 88 -19.922 3.951 4.922 1.00 0.00 N ATOM 1272 CA GLU A 88 -20.122 5.221 5.609 1.00 0.00 C ATOM 1273 C GLU A 88 -18.788 5.911 5.878 1.00 0.00 C ATOM 1274 O GLU A 88 -18.531 6.379 6.987 1.00 0.00 O ATOM 1275 CB GLU A 88 -20.870 5.002 6.926 1.00 0.00 C ATOM 1276 CG GLU A 88 -22.239 4.367 6.750 1.00 0.00 C ATOM 1277 CD GLU A 88 -23.050 4.364 8.031 1.00 0.00 C ATOM 1278 OE1 GLU A 88 -22.797 5.229 8.896 1.00 0.00 O ATOM 1279 OE2 GLU A 88 -23.937 3.496 8.169 1.00 0.00 O ATOM 0 H GLU A 88 -20.315 3.913 3.982 1.00 0.00 H new ATOM 0 HA GLU A 88 -20.720 5.864 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.266 4.369 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -20.986 5.960 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.788 4.905 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -22.118 3.342 6.399 1.00 0.00 H new ATOM 1286 N ILE A 89 -17.942 5.969 4.854 1.00 0.00 N ATOM 1287 CA ILE A 89 -16.635 6.601 4.980 1.00 0.00 C ATOM 1288 C ILE A 89 -16.737 8.113 4.810 1.00 0.00 C ATOM 1289 O ILE A 89 -16.683 8.629 3.694 1.00 0.00 O ATOM 1290 CB ILE A 89 -15.639 6.046 3.944 1.00 0.00 C ATOM 1291 CG1 ILE A 89 -15.368 4.564 4.208 1.00 0.00 C ATOM 1292 CG2 ILE A 89 -14.343 6.842 3.976 1.00 0.00 C ATOM 1293 CD1 ILE A 89 -14.568 4.311 5.467 1.00 0.00 C ATOM 0 H ILE A 89 -18.139 5.586 3.929 1.00 0.00 H new ATOM 0 HA ILE A 89 -16.270 6.374 5.982 1.00 0.00 H new ATOM 0 HB ILE A 89 -16.078 6.144 2.951 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.319 4.036 4.279 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -14.833 4.143 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.649 6.438 3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -14.552 7.886 3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.898 6.773 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -14.414 3.239 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.602 4.810 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -15.111 4.701 6.328 1.00 0.00 H new ATOM 1305 N SER A 90 -16.883 8.820 5.927 1.00 0.00 N ATOM 1306 CA SER A 90 -16.995 10.273 5.903 1.00 0.00 C ATOM 1307 C SER A 90 -15.733 10.925 6.461 1.00 0.00 C ATOM 1308 O SER A 90 -15.802 11.923 7.178 1.00 0.00 O ATOM 1309 CB SER A 90 -18.215 10.726 6.707 1.00 0.00 C ATOM 1310 OG SER A 90 -18.137 10.275 8.048 1.00 0.00 O ATOM 0 H SER A 90 -16.926 8.409 6.860 1.00 0.00 H new ATOM 0 HA SER A 90 -17.116 10.586 4.866 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.283 11.814 6.689 1.00 0.00 H new ATOM 0 HB3 SER A 90 -19.123 10.342 6.243 1.00 0.00 H new ATOM 0 HG SER A 90 -18.927 10.579 8.542 1.00 0.00 H new ATOM 1316 N SER A 91 -14.581 10.351 6.127 1.00 0.00 N ATOM 1317 CA SER A 91 -13.303 10.872 6.598 1.00 0.00 C ATOM 1318 C SER A 91 -12.164 10.419 5.690 1.00 0.00 C ATOM 1319 O SER A 91 -12.132 9.273 5.240 1.00 0.00 O ATOM 1320 CB SER A 91 -13.040 10.415 8.034 1.00 0.00 C ATOM 1321 OG SER A 91 -13.579 11.333 8.969 1.00 0.00 O ATOM 0 H SER A 91 -14.507 9.526 5.532 1.00 0.00 H new ATOM 0 HA SER A 91 -13.351 11.961 6.575 1.00 0.00 H new ATOM 0 HB2 SER A 91 -13.480 9.430 8.192 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.967 10.314 8.196 1.00 0.00 H new ATOM 0 HG SER A 91 -14.410 11.712 8.614 1.00 0.00 H new ATOM 1327 N VAL A 92 -11.230 11.326 5.425 1.00 0.00 N ATOM 1328 CA VAL A 92 -10.087 11.020 4.572 1.00 0.00 C ATOM 1329 C VAL A 92 -8.835 11.748 5.049 1.00 0.00 C ATOM 1330 O VAL A 92 -8.901 12.827 5.638 1.00 0.00 O ATOM 1331 CB VAL A 92 -10.363 11.403 3.106 1.00 0.00 C ATOM 1332 CG1 VAL A 92 -11.521 10.587 2.551 1.00 0.00 C ATOM 1333 CG2 VAL A 92 -10.645 12.893 2.989 1.00 0.00 C ATOM 0 H VAL A 92 -11.242 12.279 5.788 1.00 0.00 H new ATOM 0 HA VAL A 92 -9.924 9.944 4.634 1.00 0.00 H new ATOM 0 HB VAL A 92 -9.475 11.178 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -11.702 10.871 1.514 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -11.275 9.526 2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.417 10.779 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -10.838 13.146 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -11.517 13.147 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.782 13.456 3.345 1.00 0.00 H new ATOM 1343 N PRO A 93 -7.666 11.146 4.788 1.00 0.00 N ATOM 1344 CA PRO A 93 -7.575 9.862 4.087 1.00 0.00 C ATOM 1345 C PRO A 93 -8.095 8.703 4.932 1.00 0.00 C ATOM 1346 O PRO A 93 -8.254 8.829 6.146 1.00 0.00 O ATOM 1347 CB PRO A 93 -6.075 9.704 3.828 1.00 0.00 C ATOM 1348 CG PRO A 93 -5.419 10.515 4.893 1.00 0.00 C ATOM 1349 CD PRO A 93 -6.341 11.673 5.157 1.00 0.00 C ATOM 0 HA PRO A 93 -8.181 9.848 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.772 8.659 3.883 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.805 10.062 2.835 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.266 9.924 5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.438 10.863 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.308 11.982 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.074 12.544 4.558 1.00 0.00 H new ATOM 1357 N THR A 94 -8.358 7.574 4.281 1.00 0.00 N ATOM 1358 CA THR A 94 -8.860 6.393 4.972 1.00 0.00 C ATOM 1359 C THR A 94 -8.644 5.135 4.138 1.00 0.00 C ATOM 1360 O THR A 94 -9.245 4.972 3.076 1.00 0.00 O ATOM 1361 CB THR A 94 -10.359 6.529 5.298 1.00 0.00 C ATOM 1362 OG1 THR A 94 -10.548 7.478 6.352 1.00 0.00 O ATOM 1363 CG2 THR A 94 -10.948 5.186 5.706 1.00 0.00 C ATOM 0 H THR A 94 -8.232 7.453 3.276 1.00 0.00 H new ATOM 0 HA THR A 94 -8.300 6.308 5.903 1.00 0.00 H new ATOM 0 HB THR A 94 -10.873 6.876 4.402 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.240 8.122 6.092 1.00 0.00 H new ATOM 0 HG21 THR A 94 -12.008 5.307 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 94 -10.830 4.474 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 94 -10.429 4.814 6.590 1.00 0.00 H new ATOM 1371 N PHE A 95 -7.784 4.248 4.626 1.00 0.00 N ATOM 1372 CA PHE A 95 -7.489 3.004 3.925 1.00 0.00 C ATOM 1373 C PHE A 95 -8.380 1.872 4.428 1.00 0.00 C ATOM 1374 O PHE A 95 -8.677 1.783 5.620 1.00 0.00 O ATOM 1375 CB PHE A 95 -6.017 2.628 4.107 1.00 0.00 C ATOM 1376 CG PHE A 95 -5.069 3.754 3.808 1.00 0.00 C ATOM 1377 CD1 PHE A 95 -4.816 4.734 4.754 1.00 0.00 C ATOM 1378 CD2 PHE A 95 -4.432 3.834 2.580 1.00 0.00 C ATOM 1379 CE1 PHE A 95 -3.944 5.772 4.482 1.00 0.00 C ATOM 1380 CE2 PHE A 95 -3.559 4.869 2.302 1.00 0.00 C ATOM 1381 CZ PHE A 95 -3.316 5.839 3.254 1.00 0.00 C ATOM 0 H PHE A 95 -7.279 4.367 5.504 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.690 3.157 2.865 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -5.860 2.294 5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.783 1.784 3.458 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.306 4.687 5.715 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.620 3.079 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.754 6.529 5.229 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -3.068 4.919 1.342 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.635 6.649 3.038 1.00 0.00 H new ATOM 1391 N LEU A 96 -8.804 1.009 3.511 1.00 0.00 N ATOM 1392 CA LEU A 96 -9.662 -0.118 3.860 1.00 0.00 C ATOM 1393 C LEU A 96 -9.106 -1.421 3.294 1.00 0.00 C ATOM 1394 O LEU A 96 -9.117 -1.638 2.082 1.00 0.00 O ATOM 1395 CB LEU A 96 -11.080 0.115 3.336 1.00 0.00 C ATOM 1396 CG LEU A 96 -12.009 0.917 4.249 1.00 0.00 C ATOM 1397 CD1 LEU A 96 -13.336 1.187 3.556 1.00 0.00 C ATOM 1398 CD2 LEU A 96 -12.231 0.182 5.562 1.00 0.00 C ATOM 0 H LEU A 96 -8.568 1.068 2.521 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.691 -0.199 4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.012 0.630 2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.539 -0.855 3.145 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.535 1.874 4.467 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -13.984 1.759 4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.161 1.756 2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -13.816 0.240 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -12.894 0.767 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -12.683 -0.790 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -11.275 0.041 6.066 1.00 0.00 H new ATOM 1410 N PHE A 97 -8.623 -2.286 4.179 1.00 0.00 N ATOM 1411 CA PHE A 97 -8.064 -3.569 3.768 1.00 0.00 C ATOM 1412 C PHE A 97 -9.170 -4.591 3.524 1.00 0.00 C ATOM 1413 O PHE A 97 -9.896 -4.968 4.444 1.00 0.00 O ATOM 1414 CB PHE A 97 -7.096 -4.092 4.832 1.00 0.00 C ATOM 1415 CG PHE A 97 -5.969 -3.146 5.134 1.00 0.00 C ATOM 1416 CD1 PHE A 97 -4.810 -3.164 4.375 1.00 0.00 C ATOM 1417 CD2 PHE A 97 -6.069 -2.238 6.176 1.00 0.00 C ATOM 1418 CE1 PHE A 97 -3.771 -2.295 4.652 1.00 0.00 C ATOM 1419 CE2 PHE A 97 -5.034 -1.367 6.457 1.00 0.00 C ATOM 1420 CZ PHE A 97 -3.884 -1.395 5.693 1.00 0.00 C ATOM 0 H PHE A 97 -8.607 -2.122 5.186 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.521 -3.418 2.835 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -7.650 -4.290 5.750 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.682 -5.043 4.499 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.717 -3.864 3.558 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -6.967 -2.211 6.776 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.872 -2.320 4.055 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.124 -0.665 7.273 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.074 -0.714 5.909 1.00 0.00 H new ATOM 1430 N PHE A 98 -9.293 -5.035 2.278 1.00 0.00 N ATOM 1431 CA PHE A 98 -10.311 -6.012 1.911 1.00 0.00 C ATOM 1432 C PHE A 98 -9.671 -7.298 1.398 1.00 0.00 C ATOM 1433 O PHE A 98 -9.064 -7.320 0.327 1.00 0.00 O ATOM 1434 CB PHE A 98 -11.244 -5.433 0.845 1.00 0.00 C ATOM 1435 CG PHE A 98 -12.135 -4.339 1.359 1.00 0.00 C ATOM 1436 CD1 PHE A 98 -13.073 -4.597 2.346 1.00 0.00 C ATOM 1437 CD2 PHE A 98 -12.036 -3.052 0.856 1.00 0.00 C ATOM 1438 CE1 PHE A 98 -13.895 -3.593 2.821 1.00 0.00 C ATOM 1439 CE2 PHE A 98 -12.855 -2.043 1.327 1.00 0.00 C ATOM 1440 CZ PHE A 98 -13.786 -2.314 2.311 1.00 0.00 C ATOM 0 H PHE A 98 -8.700 -4.734 1.505 1.00 0.00 H new ATOM 0 HA PHE A 98 -10.891 -6.247 2.803 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -10.645 -5.046 0.021 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -11.862 -6.234 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -13.163 -5.595 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -11.310 -2.834 0.087 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -14.622 -3.808 3.590 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -12.767 -1.044 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 98 -14.427 -1.528 2.681 1.00 0.00 H new ATOM 1450 N LYS A 99 -9.810 -8.370 2.171 1.00 0.00 N ATOM 1451 CA LYS A 99 -9.246 -9.662 1.796 1.00 0.00 C ATOM 1452 C LYS A 99 -10.349 -10.691 1.568 1.00 0.00 C ATOM 1453 O LYS A 99 -10.977 -11.161 2.515 1.00 0.00 O ATOM 1454 CB LYS A 99 -8.288 -10.158 2.882 1.00 0.00 C ATOM 1455 CG LYS A 99 -7.666 -11.508 2.573 1.00 0.00 C ATOM 1456 CD LYS A 99 -6.401 -11.363 1.744 1.00 0.00 C ATOM 1457 CE LYS A 99 -5.234 -10.875 2.588 1.00 0.00 C ATOM 1458 NZ LYS A 99 -4.586 -11.987 3.336 1.00 0.00 N ATOM 0 H LYS A 99 -10.308 -8.370 3.061 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.695 -9.533 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.494 -9.424 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.826 -10.223 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.434 -12.025 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.385 -12.126 2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.149 -12.323 1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.578 -10.663 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.498 -10.393 1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.586 -10.121 3.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.796 -11.613 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.282 -12.431 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.227 -12.695 2.664 1.00 0.00 H new ATOM 1472 N ASN A 100 -10.577 -11.037 0.305 1.00 0.00 N ATOM 1473 CA ASN A 100 -11.604 -12.011 -0.046 1.00 0.00 C ATOM 1474 C ASN A 100 -12.999 -11.420 0.130 1.00 0.00 C ATOM 1475 O ASN A 100 -13.908 -12.085 0.628 1.00 0.00 O ATOM 1476 CB ASN A 100 -11.458 -13.269 0.812 1.00 0.00 C ATOM 1477 CG ASN A 100 -12.016 -14.503 0.130 1.00 0.00 C ATOM 1478 OD1 ASN A 100 -12.749 -14.404 -0.854 1.00 0.00 O ATOM 1479 ND2 ASN A 100 -11.671 -15.675 0.651 1.00 0.00 N ATOM 0 H ASN A 100 -10.065 -10.658 -0.491 1.00 0.00 H new ATOM 0 HA ASN A 100 -11.473 -12.277 -1.095 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -10.404 -13.429 1.041 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -11.971 -13.119 1.762 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -12.016 -16.540 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -11.061 -15.710 1.468 1.00 0.00 H new ATOM 1486 N SER A 101 -13.161 -10.166 -0.280 1.00 0.00 N ATOM 1487 CA SER A 101 -14.444 -9.483 -0.165 1.00 0.00 C ATOM 1488 C SER A 101 -14.902 -9.430 1.290 1.00 0.00 C ATOM 1489 O SER A 101 -16.099 -9.420 1.574 1.00 0.00 O ATOM 1490 CB SER A 101 -15.500 -10.188 -1.018 1.00 0.00 C ATOM 1491 OG SER A 101 -16.032 -11.315 -0.343 1.00 0.00 O ATOM 0 H SER A 101 -12.419 -9.602 -0.695 1.00 0.00 H new ATOM 0 HA SER A 101 -14.318 -8.462 -0.526 1.00 0.00 H new ATOM 0 HB2 SER A 101 -16.303 -9.491 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 101 -15.058 -10.502 -1.964 1.00 0.00 H new ATOM 0 HG SER A 101 -15.306 -11.934 -0.117 1.00 0.00 H new ATOM 1497 N GLN A 102 -13.939 -9.396 2.206 1.00 0.00 N ATOM 1498 CA GLN A 102 -14.243 -9.345 3.631 1.00 0.00 C ATOM 1499 C GLN A 102 -13.215 -8.499 4.376 1.00 0.00 C ATOM 1500 O GLN A 102 -12.056 -8.890 4.514 1.00 0.00 O ATOM 1501 CB GLN A 102 -14.280 -10.757 4.217 1.00 0.00 C ATOM 1502 CG GLN A 102 -15.485 -11.569 3.771 1.00 0.00 C ATOM 1503 CD GLN A 102 -16.756 -11.174 4.497 1.00 0.00 C ATOM 1504 OE1 GLN A 102 -16.766 -10.229 5.286 1.00 0.00 O ATOM 1505 NE2 GLN A 102 -17.838 -11.897 4.233 1.00 0.00 N ATOM 0 H GLN A 102 -12.943 -9.403 1.987 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.223 -8.884 3.752 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.370 -11.285 3.930 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.280 -10.690 5.305 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -15.629 -11.440 2.698 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -15.288 -12.628 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.785 -12.672 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.722 -11.677 4.691 1.00 0.00 H new ATOM 1514 N LYS A 103 -13.648 -7.338 4.855 1.00 0.00 N ATOM 1515 CA LYS A 103 -12.767 -6.436 5.588 1.00 0.00 C ATOM 1516 C LYS A 103 -12.119 -7.150 6.769 1.00 0.00 C ATOM 1517 O LYS A 103 -12.804 -7.765 7.587 1.00 0.00 O ATOM 1518 CB LYS A 103 -13.549 -5.216 6.081 1.00 0.00 C ATOM 1519 CG LYS A 103 -12.663 -4.063 6.520 1.00 0.00 C ATOM 1520 CD LYS A 103 -13.485 -2.877 6.995 1.00 0.00 C ATOM 1521 CE LYS A 103 -13.868 -3.014 8.460 1.00 0.00 C ATOM 1522 NZ LYS A 103 -12.830 -2.438 9.360 1.00 0.00 N ATOM 0 H LYS A 103 -14.604 -6.999 4.749 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.980 -6.105 4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -14.210 -4.873 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -14.183 -5.514 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.004 -4.395 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.026 -3.756 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -12.916 -1.958 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.387 -2.792 6.389 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -14.820 -2.512 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.014 -4.067 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -13.128 -2.551 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.928 -2.933 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.709 -1.427 9.148 1.00 0.00 H new ATOM 1536 N ILE A 104 -10.795 -7.062 6.854 1.00 0.00 N ATOM 1537 CA ILE A 104 -10.056 -7.698 7.937 1.00 0.00 C ATOM 1538 C ILE A 104 -9.363 -6.659 8.813 1.00 0.00 C ATOM 1539 O ILE A 104 -9.238 -6.838 10.025 1.00 0.00 O ATOM 1540 CB ILE A 104 -9.002 -8.683 7.397 1.00 0.00 C ATOM 1541 CG1 ILE A 104 -8.038 -7.964 6.452 1.00 0.00 C ATOM 1542 CG2 ILE A 104 -9.679 -9.846 6.689 1.00 0.00 C ATOM 1543 CD1 ILE A 104 -6.816 -8.783 6.097 1.00 0.00 C ATOM 0 H ILE A 104 -10.213 -6.557 6.186 1.00 0.00 H new ATOM 0 HA ILE A 104 -10.783 -8.248 8.535 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.430 -9.078 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -8.568 -7.701 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -7.718 -7.030 6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.922 -10.534 6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.329 -10.370 7.390 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -10.273 -9.469 5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.177 -8.211 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.263 -9.024 7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -7.126 -9.705 5.606 1.00 0.00 H new ATOM 1555 N ASP A 105 -8.917 -5.573 8.192 1.00 0.00 N ATOM 1556 CA ASP A 105 -8.239 -4.503 8.916 1.00 0.00 C ATOM 1557 C ASP A 105 -8.586 -3.141 8.322 1.00 0.00 C ATOM 1558 O ASP A 105 -9.216 -3.055 7.268 1.00 0.00 O ATOM 1559 CB ASP A 105 -6.725 -4.717 8.884 1.00 0.00 C ATOM 1560 CG ASP A 105 -6.022 -4.050 10.050 1.00 0.00 C ATOM 1561 OD1 ASP A 105 -6.424 -4.298 11.206 1.00 0.00 O ATOM 1562 OD2 ASP A 105 -5.070 -3.279 9.807 1.00 0.00 O ATOM 0 H ASP A 105 -9.012 -5.410 7.190 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.579 -4.525 9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -6.512 -5.786 8.898 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -6.325 -4.324 7.949 1.00 0.00 H new ATOM 1567 N ARG A 106 -8.170 -2.080 9.006 1.00 0.00 N ATOM 1568 CA ARG A 106 -8.439 -0.723 8.547 1.00 0.00 C ATOM 1569 C ARG A 106 -7.484 0.271 9.201 1.00 0.00 C ATOM 1570 O ARG A 106 -7.101 0.109 10.361 1.00 0.00 O ATOM 1571 CB ARG A 106 -9.886 -0.334 8.856 1.00 0.00 C ATOM 1572 CG ARG A 106 -10.178 1.143 8.646 1.00 0.00 C ATOM 1573 CD ARG A 106 -11.390 1.590 9.449 1.00 0.00 C ATOM 1574 NE ARG A 106 -11.852 2.917 9.049 1.00 0.00 N ATOM 1575 CZ ARG A 106 -12.809 3.584 9.684 1.00 0.00 C ATOM 1576 NH1 ARG A 106 -13.402 3.051 10.744 1.00 0.00 N ATOM 1577 NH2 ARG A 106 -13.175 4.787 9.260 1.00 0.00 N ATOM 0 H ARG A 106 -7.646 -2.134 9.879 1.00 0.00 H new ATOM 0 HA ARG A 106 -8.285 -0.694 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -10.554 -0.921 8.225 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.111 -0.597 9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.309 1.732 8.938 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -10.351 1.334 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -12.198 0.870 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.139 1.598 10.510 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.416 3.355 8.238 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -13.123 2.127 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.137 3.565 11.230 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.721 5.201 8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.910 5.298 9.749 1.00 0.00 H new ATOM 1591 N LEU A 107 -7.103 1.299 8.451 1.00 0.00 N ATOM 1592 CA LEU A 107 -6.192 2.320 8.957 1.00 0.00 C ATOM 1593 C LEU A 107 -6.792 3.713 8.799 1.00 0.00 C ATOM 1594 O LEU A 107 -7.061 4.161 7.684 1.00 0.00 O ATOM 1595 CB LEU A 107 -4.851 2.244 8.225 1.00 0.00 C ATOM 1596 CG LEU A 107 -3.626 2.699 9.018 1.00 0.00 C ATOM 1597 CD1 LEU A 107 -2.374 2.623 8.157 1.00 0.00 C ATOM 1598 CD2 LEU A 107 -3.827 4.112 9.546 1.00 0.00 C ATOM 0 H LEU A 107 -7.411 1.448 7.490 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.031 2.133 10.019 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.691 1.214 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.919 2.849 7.321 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.499 2.029 9.869 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -1.512 2.951 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -2.220 1.595 7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -2.491 3.269 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.945 4.419 10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.981 4.794 8.710 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.700 4.136 10.199 1.00 0.00 H new ATOM 1610 N ASP A 108 -6.998 4.393 9.921 1.00 0.00 N ATOM 1611 CA ASP A 108 -7.564 5.737 9.907 1.00 0.00 C ATOM 1612 C ASP A 108 -6.479 6.786 10.130 1.00 0.00 C ATOM 1613 O ASP A 108 -5.607 6.620 10.982 1.00 0.00 O ATOM 1614 CB ASP A 108 -8.646 5.869 10.980 1.00 0.00 C ATOM 1615 CG ASP A 108 -9.679 6.924 10.633 1.00 0.00 C ATOM 1616 OD1 ASP A 108 -9.326 7.888 9.923 1.00 0.00 O ATOM 1617 OD2 ASP A 108 -10.840 6.786 11.074 1.00 0.00 O ATOM 0 H ASP A 108 -6.782 4.036 10.852 1.00 0.00 H new ATOM 0 HA ASP A 108 -8.012 5.906 8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.143 4.908 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -8.180 6.120 11.933 1.00 0.00 H new ATOM 1622 N GLY A 109 -6.539 7.867 9.358 1.00 0.00 N ATOM 1623 CA GLY A 109 -5.555 8.926 9.486 1.00 0.00 C ATOM 1624 C GLY A 109 -4.390 8.754 8.531 1.00 0.00 C ATOM 1625 O GLY A 109 -3.916 7.639 8.315 1.00 0.00 O ATOM 0 H GLY A 109 -7.252 8.028 8.646 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.034 9.887 9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.181 8.949 10.510 1.00 0.00 H new ATOM 1629 N ALA A 110 -3.929 9.860 7.957 1.00 0.00 N ATOM 1630 CA ALA A 110 -2.813 9.827 7.021 1.00 0.00 C ATOM 1631 C ALA A 110 -1.523 9.409 7.719 1.00 0.00 C ATOM 1632 O ALA A 110 -0.846 10.230 8.338 1.00 0.00 O ATOM 1633 CB ALA A 110 -2.640 11.185 6.357 1.00 0.00 C ATOM 0 H ALA A 110 -4.312 10.791 8.124 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.037 9.086 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -1.803 11.145 5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.550 11.444 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.443 11.940 7.118 1.00 0.00 H new ATOM 1639 N HIS A 111 -1.188 8.126 7.615 1.00 0.00 N ATOM 1640 CA HIS A 111 0.021 7.600 8.237 1.00 0.00 C ATOM 1641 C HIS A 111 0.944 6.981 7.192 1.00 0.00 C ATOM 1642 O HIS A 111 0.612 5.967 6.579 1.00 0.00 O ATOM 1643 CB HIS A 111 -0.337 6.559 9.298 1.00 0.00 C ATOM 1644 CG HIS A 111 -0.926 7.150 10.542 1.00 0.00 C ATOM 1645 ND1 HIS A 111 -0.294 8.127 11.283 1.00 0.00 N ATOM 1646 CD2 HIS A 111 -2.096 6.898 11.174 1.00 0.00 C ATOM 1647 CE1 HIS A 111 -1.050 8.449 12.318 1.00 0.00 C ATOM 1648 NE2 HIS A 111 -2.149 7.718 12.275 1.00 0.00 N ATOM 0 H HIS A 111 -1.737 7.433 7.106 1.00 0.00 H new ATOM 0 HA HIS A 111 0.544 8.429 8.714 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -1.045 5.848 8.873 1.00 0.00 H new ATOM 0 HB3 HIS A 111 0.559 5.998 9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -2.848 6.185 10.869 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -0.810 9.185 13.071 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -2.913 7.756 12.950 1.00 0.00 H new ATOM 1657 N ALA A 112 2.104 7.598 6.994 1.00 0.00 N ATOM 1658 CA ALA A 112 3.075 7.107 6.024 1.00 0.00 C ATOM 1659 C ALA A 112 3.664 5.771 6.465 1.00 0.00 C ATOM 1660 O ALA A 112 3.577 4.765 5.762 1.00 0.00 O ATOM 1661 CB ALA A 112 4.181 8.132 5.819 1.00 0.00 C ATOM 0 H ALA A 112 2.394 8.439 7.493 1.00 0.00 H new ATOM 0 HA ALA A 112 2.559 6.952 5.077 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.899 7.752 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.750 9.063 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.687 8.316 6.767 1.00 0.00 H new ATOM 1667 N PRO A 113 4.280 5.760 7.656 1.00 0.00 N ATOM 1668 CA PRO A 113 4.896 4.554 8.218 1.00 0.00 C ATOM 1669 C PRO A 113 3.861 3.514 8.632 1.00 0.00 C ATOM 1670 O PRO A 113 3.954 2.347 8.252 1.00 0.00 O ATOM 1671 CB PRO A 113 5.649 5.077 9.443 1.00 0.00 C ATOM 1672 CG PRO A 113 4.924 6.320 9.831 1.00 0.00 C ATOM 1673 CD PRO A 113 4.422 6.923 8.548 1.00 0.00 C ATOM 0 HA PRO A 113 5.534 4.047 7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 113 5.644 4.347 10.252 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.693 5.285 9.207 1.00 0.00 H new ATOM 0 HG2 PRO A 113 4.098 6.096 10.506 1.00 0.00 H new ATOM 0 HG3 PRO A 113 5.585 7.010 10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 113 3.472 7.438 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 113 5.124 7.654 8.146 1.00 0.00 H new ATOM 1681 N GLU A 114 2.876 3.945 9.414 1.00 0.00 N ATOM 1682 CA GLU A 114 1.824 3.049 9.880 1.00 0.00 C ATOM 1683 C GLU A 114 1.233 2.253 8.720 1.00 0.00 C ATOM 1684 O GLU A 114 1.024 1.044 8.825 1.00 0.00 O ATOM 1685 CB GLU A 114 0.720 3.844 10.581 1.00 0.00 C ATOM 1686 CG GLU A 114 0.026 3.073 11.691 1.00 0.00 C ATOM 1687 CD GLU A 114 0.913 2.871 12.904 1.00 0.00 C ATOM 1688 OE1 GLU A 114 2.151 2.907 12.747 1.00 0.00 O ATOM 1689 OE2 GLU A 114 0.368 2.676 14.011 1.00 0.00 O ATOM 0 H GLU A 114 2.785 4.908 9.738 1.00 0.00 H new ATOM 0 HA GLU A 114 2.266 2.350 10.590 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.149 4.756 10.997 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.022 4.148 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.876 3.607 11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.290 2.102 11.311 1.00 0.00 H new ATOM 1696 N LEU A 115 0.967 2.939 7.614 1.00 0.00 N ATOM 1697 CA LEU A 115 0.400 2.298 6.433 1.00 0.00 C ATOM 1698 C LEU A 115 1.239 1.095 6.012 1.00 0.00 C ATOM 1699 O LEU A 115 0.742 -0.030 5.945 1.00 0.00 O ATOM 1700 CB LEU A 115 0.307 3.298 5.280 1.00 0.00 C ATOM 1701 CG LEU A 115 -0.249 2.755 3.963 1.00 0.00 C ATOM 1702 CD1 LEU A 115 -1.692 2.308 4.137 1.00 0.00 C ATOM 1703 CD2 LEU A 115 -0.142 3.804 2.866 1.00 0.00 C ATOM 0 H LEU A 115 1.135 3.940 7.510 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.602 1.950 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.318 4.132 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.303 3.699 5.093 1.00 0.00 H new ATOM 0 HG LEU A 115 0.345 1.890 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -2.071 1.925 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.741 1.523 4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -2.300 3.155 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.542 3.400 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.711 4.689 3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.904 4.076 2.723 1.00 0.00 H new ATOM 1715 N THR A 116 2.515 1.339 5.729 1.00 0.00 N ATOM 1716 CA THR A 116 3.423 0.277 5.316 1.00 0.00 C ATOM 1717 C THR A 116 3.341 -0.916 6.261 1.00 0.00 C ATOM 1718 O THR A 116 3.296 -2.066 5.824 1.00 0.00 O ATOM 1719 CB THR A 116 4.880 0.774 5.259 1.00 0.00 C ATOM 1720 OG1 THR A 116 4.997 1.842 4.313 1.00 0.00 O ATOM 1721 CG2 THR A 116 5.823 -0.356 4.876 1.00 0.00 C ATOM 0 H THR A 116 2.943 2.264 5.779 1.00 0.00 H new ATOM 0 HA THR A 116 3.113 -0.033 4.318 1.00 0.00 H new ATOM 0 HB THR A 116 5.156 1.136 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.926 2.153 4.284 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.846 0.019 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.754 -1.154 5.615 1.00 0.00 H new ATOM 0 HG23 THR A 116 5.546 -0.744 3.896 1.00 0.00 H new ATOM 1729 N LYS A 117 3.321 -0.635 7.560 1.00 0.00 N ATOM 1730 CA LYS A 117 3.242 -1.685 8.569 1.00 0.00 C ATOM 1731 C LYS A 117 2.150 -2.692 8.222 1.00 0.00 C ATOM 1732 O LYS A 117 2.424 -3.873 8.012 1.00 0.00 O ATOM 1733 CB LYS A 117 2.971 -1.077 9.947 1.00 0.00 C ATOM 1734 CG LYS A 117 4.024 -0.074 10.386 1.00 0.00 C ATOM 1735 CD LYS A 117 5.328 -0.760 10.758 1.00 0.00 C ATOM 1736 CE LYS A 117 6.503 0.203 10.692 1.00 0.00 C ATOM 1737 NZ LYS A 117 6.507 1.152 11.840 1.00 0.00 N ATOM 0 H LYS A 117 3.358 0.311 7.939 1.00 0.00 H new ATOM 0 HA LYS A 117 4.199 -2.207 8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.997 -0.587 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.915 -1.878 10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.204 0.641 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.654 0.493 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 117 5.250 -1.172 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 117 5.505 -1.598 10.084 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.435 -0.362 10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.462 0.763 9.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 7.323 1.792 11.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.629 1.709 11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 6.572 0.619 12.731 1.00 0.00 H new ATOM 1751 N LYS A 118 0.911 -2.216 8.162 1.00 0.00 N ATOM 1752 CA LYS A 118 -0.224 -3.073 7.838 1.00 0.00 C ATOM 1753 C LYS A 118 -0.071 -3.674 6.444 1.00 0.00 C ATOM 1754 O LYS A 118 -0.317 -4.862 6.239 1.00 0.00 O ATOM 1755 CB LYS A 118 -1.530 -2.280 7.924 1.00 0.00 C ATOM 1756 CG LYS A 118 -1.930 -1.919 9.343 1.00 0.00 C ATOM 1757 CD LYS A 118 -2.834 -0.698 9.375 1.00 0.00 C ATOM 1758 CE LYS A 118 -3.199 -0.311 10.799 1.00 0.00 C ATOM 1759 NZ LYS A 118 -2.083 0.396 11.486 1.00 0.00 N ATOM 0 H LYS A 118 0.667 -1.241 8.334 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.253 -3.886 8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -1.429 -1.365 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.330 -2.863 7.467 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.442 -2.764 9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -1.036 -1.726 9.936 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.334 0.139 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.742 -0.902 8.808 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.081 0.329 10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.463 -1.206 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.967 0.011 12.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -1.203 0.260 10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -2.299 1.412 11.544 1.00 0.00 H new ATOM 1773 N VAL A 119 0.337 -2.844 5.489 1.00 0.00 N ATOM 1774 CA VAL A 119 0.525 -3.294 4.115 1.00 0.00 C ATOM 1775 C VAL A 119 1.426 -4.522 4.057 1.00 0.00 C ATOM 1776 O VAL A 119 1.143 -5.478 3.336 1.00 0.00 O ATOM 1777 CB VAL A 119 1.133 -2.183 3.239 1.00 0.00 C ATOM 1778 CG1 VAL A 119 1.383 -2.692 1.827 1.00 0.00 C ATOM 1779 CG2 VAL A 119 0.225 -0.962 3.221 1.00 0.00 C ATOM 0 H VAL A 119 0.544 -1.857 5.642 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.461 -3.552 3.729 1.00 0.00 H new ATOM 0 HB VAL A 119 2.091 -1.889 3.668 1.00 0.00 H new ATOM 0 HG11 VAL A 119 1.813 -1.893 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.075 -3.534 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 119 0.441 -3.015 1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.670 -0.187 2.597 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -0.749 -1.239 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 119 0.102 -0.585 4.236 1.00 0.00 H new ATOM 1789 N GLN A 120 2.513 -4.489 4.822 1.00 0.00 N ATOM 1790 CA GLN A 120 3.456 -5.600 4.858 1.00 0.00 C ATOM 1791 C GLN A 120 2.815 -6.839 5.473 1.00 0.00 C ATOM 1792 O GLN A 120 2.907 -7.936 4.921 1.00 0.00 O ATOM 1793 CB GLN A 120 4.705 -5.211 5.650 1.00 0.00 C ATOM 1794 CG GLN A 120 5.571 -4.175 4.952 1.00 0.00 C ATOM 1795 CD GLN A 120 6.979 -4.119 5.510 1.00 0.00 C ATOM 1796 OE1 GLN A 120 7.177 -4.101 6.726 1.00 0.00 O ATOM 1797 NE2 GLN A 120 7.968 -4.090 4.624 1.00 0.00 N ATOM 0 H GLN A 120 2.762 -3.705 5.425 1.00 0.00 H new ATOM 0 HA GLN A 120 3.743 -5.833 3.833 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.402 -4.823 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 120 5.301 -6.105 5.835 1.00 0.00 H new ATOM 0 HG2 GLN A 120 5.615 -4.402 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.106 -3.194 5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 120 7.759 -4.107 3.626 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.936 -4.051 4.942 1.00 0.00 H new ATOM 1806 N ARG A 121 2.165 -6.657 6.618 1.00 0.00 N ATOM 1807 CA ARG A 121 1.510 -7.761 7.308 1.00 0.00 C ATOM 1808 C ARG A 121 0.434 -8.391 6.428 1.00 0.00 C ATOM 1809 O ARG A 121 0.489 -9.583 6.120 1.00 0.00 O ATOM 1810 CB ARG A 121 0.890 -7.274 8.619 1.00 0.00 C ATOM 1811 CG ARG A 121 0.119 -8.351 9.365 1.00 0.00 C ATOM 1812 CD ARG A 121 -1.023 -7.759 10.176 1.00 0.00 C ATOM 1813 NE ARG A 121 -1.523 -8.692 11.182 1.00 0.00 N ATOM 1814 CZ ARG A 121 -0.954 -8.866 12.370 1.00 0.00 C ATOM 1815 NH1 ARG A 121 0.127 -8.173 12.699 1.00 0.00 N ATOM 1816 NH2 ARG A 121 -1.468 -9.735 13.231 1.00 0.00 N ATOM 0 H ARG A 121 2.078 -5.755 7.087 1.00 0.00 H new ATOM 0 HA ARG A 121 2.264 -8.517 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.680 -6.891 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.220 -6.441 8.407 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.276 -9.076 8.653 1.00 0.00 H new ATOM 0 HG3 ARG A 121 0.795 -8.891 10.028 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.684 -6.846 10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.836 -7.479 9.506 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.354 -9.240 10.961 1.00 0.00 H new ATOM 0 HH11 ARG A 121 0.524 -7.504 12.039 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.562 -8.309 13.612 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.300 -10.269 12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.031 -9.869 14.143 1.00 0.00 H new ATOM 1830 N HIS A 122 -0.543 -7.584 6.026 1.00 0.00 N ATOM 1831 CA HIS A 122 -1.631 -8.063 5.181 1.00 0.00 C ATOM 1832 C HIS A 122 -1.103 -8.525 3.826 1.00 0.00 C ATOM 1833 O HIS A 122 -1.567 -9.524 3.277 1.00 0.00 O ATOM 1834 CB HIS A 122 -2.675 -6.964 4.987 1.00 0.00 C ATOM 1835 CG HIS A 122 -3.205 -6.407 6.272 1.00 0.00 C ATOM 1836 ND1 HIS A 122 -3.700 -7.198 7.288 1.00 0.00 N ATOM 1837 CD2 HIS A 122 -3.315 -5.129 6.706 1.00 0.00 C ATOM 1838 CE1 HIS A 122 -4.092 -6.431 8.289 1.00 0.00 C ATOM 1839 NE2 HIS A 122 -3.868 -5.171 7.961 1.00 0.00 N ATOM 0 H HIS A 122 -0.603 -6.596 6.272 1.00 0.00 H new ATOM 0 HA HIS A 122 -2.098 -8.913 5.678 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -2.235 -6.155 4.404 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -3.505 -7.362 4.403 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -3.022 -4.242 6.165 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -4.522 -6.775 9.218 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -4.073 -4.361 8.546 1.00 0.00 H new ATOM 1848 N ALA A 123 -0.132 -7.791 3.293 1.00 0.00 N ATOM 1849 CA ALA A 123 0.458 -8.126 2.003 1.00 0.00 C ATOM 1850 C ALA A 123 0.507 -9.637 1.798 1.00 0.00 C ATOM 1851 O ALA A 123 0.254 -10.132 0.699 1.00 0.00 O ATOM 1852 CB ALA A 123 1.854 -7.531 1.891 1.00 0.00 C ATOM 0 H ALA A 123 0.263 -6.961 3.735 1.00 0.00 H new ATOM 0 HA ALA A 123 -0.171 -7.699 1.221 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.283 -7.789 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 123 1.796 -6.447 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 123 2.485 -7.931 2.685 1.00 0.00 H new ATOM 1858 N SER A 124 0.834 -10.364 2.861 1.00 0.00 N ATOM 1859 CA SER A 124 0.920 -11.818 2.796 1.00 0.00 C ATOM 1860 C SER A 124 -0.157 -12.385 1.877 1.00 0.00 C ATOM 1861 O SER A 124 -1.344 -12.354 2.201 1.00 0.00 O ATOM 1862 CB SER A 124 0.783 -12.421 4.195 1.00 0.00 C ATOM 1863 OG SER A 124 -0.527 -12.240 4.702 1.00 0.00 O ATOM 0 H SER A 124 1.044 -9.970 3.778 1.00 0.00 H new ATOM 0 HA SER A 124 1.896 -12.082 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 124 1.019 -13.485 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 124 1.504 -11.956 4.867 1.00 0.00 H new ATOM 0 HG SER A 124 -1.136 -12.023 3.965 1.00 0.00 H new ATOM 1869 N SER A 125 0.266 -12.904 0.729 1.00 0.00 N ATOM 1870 CA SER A 125 -0.662 -13.475 -0.240 1.00 0.00 C ATOM 1871 C SER A 125 -1.525 -14.555 0.405 1.00 0.00 C ATOM 1872 O SER A 125 -2.541 -14.969 -0.152 1.00 0.00 O ATOM 1873 CB SER A 125 0.104 -14.061 -1.428 1.00 0.00 C ATOM 1874 OG SER A 125 1.130 -14.936 -0.991 1.00 0.00 O ATOM 0 H SER A 125 1.246 -12.941 0.447 1.00 0.00 H new ATOM 0 HA SER A 125 -1.314 -12.677 -0.595 1.00 0.00 H new ATOM 0 HB2 SER A 125 -0.585 -14.599 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.537 -13.254 -2.019 1.00 0.00 H new ATOM 0 HG SER A 125 1.604 -15.299 -1.768 1.00 0.00 H new ATOM 1880 N GLY A 126 -1.112 -15.006 1.586 1.00 0.00 N ATOM 1881 CA GLY A 126 -1.857 -16.034 2.289 1.00 0.00 C ATOM 1882 C GLY A 126 -1.791 -15.871 3.795 1.00 0.00 C ATOM 1883 O GLY A 126 -1.534 -14.783 4.312 1.00 0.00 O ATOM 0 H GLY A 126 -0.275 -14.678 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -2.899 -16.006 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.465 -17.014 2.015 1.00 0.00 H new ATOM 1887 N PRO A 127 -2.028 -16.971 4.524 1.00 0.00 N ATOM 1888 CA PRO A 127 -2.001 -16.970 5.990 1.00 0.00 C ATOM 1889 C PRO A 127 -0.592 -16.788 6.543 1.00 0.00 C ATOM 1890 O PRO A 127 -0.394 -16.113 7.554 1.00 0.00 O ATOM 1891 CB PRO A 127 -2.545 -18.353 6.356 1.00 0.00 C ATOM 1892 CG PRO A 127 -2.241 -19.205 5.172 1.00 0.00 C ATOM 1893 CD PRO A 127 -2.341 -18.301 3.975 1.00 0.00 C ATOM 0 HA PRO A 127 -2.579 -16.146 6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -2.068 -18.741 7.256 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -3.616 -18.317 6.554 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.245 -19.640 5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.946 -20.033 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -1.637 -18.589 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -3.337 -18.329 3.533 1.00 0.00 H new ATOM 1901 N SER A 128 0.384 -17.393 5.875 1.00 0.00 N ATOM 1902 CA SER A 128 1.775 -17.300 6.302 1.00 0.00 C ATOM 1903 C SER A 128 2.586 -16.445 5.333 1.00 0.00 C ATOM 1904 O SER A 128 2.245 -16.330 4.156 1.00 0.00 O ATOM 1905 CB SER A 128 2.393 -18.696 6.408 1.00 0.00 C ATOM 1906 OG SER A 128 2.798 -19.172 5.136 1.00 0.00 O ATOM 0 H SER A 128 0.237 -17.953 5.035 1.00 0.00 H new ATOM 0 HA SER A 128 1.796 -16.825 7.283 1.00 0.00 H new ATOM 0 HB2 SER A 128 3.251 -18.667 7.079 1.00 0.00 H new ATOM 0 HB3 SER A 128 1.670 -19.385 6.844 1.00 0.00 H new ATOM 0 HG SER A 128 3.191 -20.065 5.231 1.00 0.00 H new ATOM 1912 N SER A 129 3.661 -15.848 5.837 1.00 0.00 N ATOM 1913 CA SER A 129 4.519 -15.000 5.017 1.00 0.00 C ATOM 1914 C SER A 129 5.511 -15.840 4.220 1.00 0.00 C ATOM 1915 O SER A 129 6.642 -16.062 4.652 1.00 0.00 O ATOM 1916 CB SER A 129 5.271 -13.999 5.896 1.00 0.00 C ATOM 1917 OG SER A 129 6.119 -14.664 6.816 1.00 0.00 O ATOM 0 H SER A 129 3.959 -15.936 6.809 1.00 0.00 H new ATOM 0 HA SER A 129 3.887 -14.455 4.316 1.00 0.00 H new ATOM 0 HB2 SER A 129 5.862 -13.332 5.269 1.00 0.00 H new ATOM 0 HB3 SER A 129 4.557 -13.378 6.438 1.00 0.00 H new ATOM 0 HG SER A 129 6.640 -15.348 6.345 1.00 0.00 H new ATOM 1923 N GLY A 130 5.079 -16.306 3.052 1.00 0.00 N ATOM 1924 CA GLY A 130 5.940 -17.117 2.212 1.00 0.00 C ATOM 1925 C GLY A 130 5.473 -17.157 0.770 1.00 0.00 C ATOM 1926 O GLY A 130 5.192 -16.118 0.173 1.00 0.00 O ATOM 0 H GLY A 130 4.148 -16.136 2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 130 6.956 -16.723 2.251 1.00 0.00 H new ATOM 0 HA3 GLY A 130 5.976 -18.132 2.607 1.00 0.00 H new TER 1930 GLY A 130