USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 715 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 46 THR OG1 : rot -103:sc= 0.974 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.83! C(o=-6.8!,f=-13!) USER MOD Set 1.3: A 71 MET CE :methyl -106:sc= -5.95! (180deg=-7.24!) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0252 (180deg=-0.228) USER MOD Single : A 25 LYS NZ :NH3+ -139:sc= 0.115 (180deg=-0.434) USER MOD Single : A 26 GLN : amide:sc= -0.712 K(o=-0.71,f=-2.8) USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.03 (180deg=-2.16) USER MOD Single : A 38 SER OG : rot -174:sc= 1.19 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 51 ASN :FLIP amide:sc= -1.49! C(o=-4.4!,f=-1.5!) USER MOD Single : A 52 MET CE :methyl 160:sc= -3.99! (180deg=-5.39!) USER MOD Single : A 53 MET CE :methyl -169:sc= -2.21! (180deg=-2.52) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 144:sc= 0.00319 (180deg=0) USER MOD Single : A 61 SER OG : rot -79:sc= -5.68! USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0.0335 (180deg=0.00301) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.445 F(o=-1.2,f=-0.45) USER MOD Single : A 72 SER OG : rot 180:sc= -1.26 USER MOD Single : A 74 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 53:sc= -0.171 USER MOD Single : A 87 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.1) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.1) USER MOD Single : A 96 GLN :FLIP amide:sc= -2.43! C(o=-3.2!,f=-2.4!) USER MOD Single : A 97 SER OG : rot 2:sc= 2.11 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -2.870 -7.549 -9.644 1.00 0.00 N ATOM 2 CA GLU A 17 -2.950 -6.289 -10.375 1.00 0.00 C ATOM 3 C GLU A 17 -1.887 -5.302 -9.896 1.00 0.00 C ATOM 4 O GLU A 17 -2.039 -4.669 -8.851 1.00 0.00 O ATOM 5 CB GLU A 17 -4.343 -5.674 -10.219 1.00 0.00 C ATOM 6 CG GLU A 17 -5.223 -5.844 -11.447 1.00 0.00 C ATOM 7 CD GLU A 17 -6.689 -5.588 -11.152 1.00 0.00 C ATOM 8 OE1 GLU A 17 -7.266 -6.329 -10.329 1.00 0.00 O ATOM 9 OE2 GLU A 17 -7.259 -4.649 -11.744 1.00 0.00 O ATOM 0 HA GLU A 17 -2.767 -6.501 -11.428 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.838 -6.129 -9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.240 -4.611 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.888 -5.160 -12.227 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.105 -6.855 -11.837 1.00 0.00 H new ATOM 16 N PHE A 18 -0.818 -5.171 -10.674 1.00 0.00 N ATOM 17 CA PHE A 18 0.266 -4.254 -10.338 1.00 0.00 C ATOM 18 C PHE A 18 -0.191 -2.809 -10.503 1.00 0.00 C ATOM 19 O PHE A 18 -1.039 -2.513 -11.345 1.00 0.00 O ATOM 20 CB PHE A 18 1.483 -4.527 -11.223 1.00 0.00 C ATOM 21 CG PHE A 18 2.525 -5.383 -10.563 1.00 0.00 C ATOM 22 CD1 PHE A 18 3.343 -4.863 -9.573 1.00 0.00 C ATOM 23 CD2 PHE A 18 2.688 -6.709 -10.934 1.00 0.00 C ATOM 24 CE1 PHE A 18 4.304 -5.649 -8.964 1.00 0.00 C ATOM 25 CE2 PHE A 18 3.648 -7.499 -10.329 1.00 0.00 C ATOM 26 CZ PHE A 18 4.456 -6.968 -9.343 1.00 0.00 C ATOM 0 H PHE A 18 -0.679 -5.688 -11.542 1.00 0.00 H new ATOM 0 HA PHE A 18 0.546 -4.414 -9.297 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.153 -5.014 -12.141 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.934 -3.577 -11.510 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.229 -3.832 -9.273 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.058 -7.129 -11.704 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.935 -5.232 -8.193 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.766 -8.530 -10.627 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.206 -7.584 -8.869 1.00 0.00 H new ATOM 36 N LYS A 19 0.354 -1.908 -9.688 1.00 0.00 N ATOM 37 CA LYS A 19 -0.033 -0.505 -9.754 1.00 0.00 C ATOM 38 C LYS A 19 1.127 0.436 -9.425 1.00 0.00 C ATOM 39 O LYS A 19 1.630 0.449 -8.302 1.00 0.00 O ATOM 40 CB LYS A 19 -1.191 -0.249 -8.786 1.00 0.00 C ATOM 41 CG LYS A 19 -2.475 0.169 -9.475 1.00 0.00 C ATOM 42 CD LYS A 19 -3.691 -0.491 -8.844 1.00 0.00 C ATOM 43 CE LYS A 19 -4.919 -0.365 -9.733 1.00 0.00 C ATOM 44 NZ LYS A 19 -4.804 -1.202 -10.960 1.00 0.00 N ATOM 0 H LYS A 19 1.058 -2.123 -8.982 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.340 -0.298 -10.779 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.377 -1.154 -8.207 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.898 0.527 -8.079 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.580 1.253 -9.422 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.424 -0.095 -10.531 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.480 -1.545 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.893 -0.033 -7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.805 -0.662 -9.172 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.056 0.678 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.747 -1.335 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.184 -0.728 -11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.401 -2.128 -10.712 1.00 0.00 H new ATOM 58 N ASP A 20 1.521 1.250 -10.405 1.00 0.00 N ATOM 59 CA ASP A 20 2.590 2.226 -10.208 1.00 0.00 C ATOM 60 C ASP A 20 2.050 3.396 -9.401 1.00 0.00 C ATOM 61 O ASP A 20 1.727 4.449 -9.952 1.00 0.00 O ATOM 62 CB ASP A 20 3.131 2.721 -11.551 1.00 0.00 C ATOM 63 CG ASP A 20 2.025 3.110 -12.514 1.00 0.00 C ATOM 64 OD1 ASP A 20 1.580 4.276 -12.466 1.00 0.00 O ATOM 65 OD2 ASP A 20 1.606 2.249 -13.315 1.00 0.00 O ATOM 0 H ASP A 20 1.116 1.252 -11.341 1.00 0.00 H new ATOM 0 HA ASP A 20 3.410 1.751 -9.669 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.781 3.580 -11.383 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.744 1.941 -12.002 1.00 0.00 H new ATOM 70 N VAL A 21 1.934 3.195 -8.095 1.00 0.00 N ATOM 71 CA VAL A 21 1.408 4.222 -7.212 1.00 0.00 C ATOM 72 C VAL A 21 2.367 5.391 -7.085 1.00 0.00 C ATOM 73 O VAL A 21 3.530 5.222 -6.725 1.00 0.00 O ATOM 74 CB VAL A 21 1.112 3.668 -5.807 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.433 4.726 -4.947 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.252 2.416 -5.895 1.00 0.00 C ATOM 0 H VAL A 21 2.198 2.329 -7.625 1.00 0.00 H new ATOM 0 HA VAL A 21 0.477 4.566 -7.663 1.00 0.00 H new ATOM 0 HB VAL A 21 2.059 3.400 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.232 4.316 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.086 5.594 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.505 5.027 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.054 2.040 -4.891 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.691 2.656 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.777 1.654 -6.471 1.00 0.00 H new ATOM 86 N PHE A 22 1.861 6.582 -7.363 1.00 0.00 N ATOM 87 CA PHE A 22 2.660 7.787 -7.260 1.00 0.00 C ATOM 88 C PHE A 22 2.082 8.689 -6.181 1.00 0.00 C ATOM 89 O PHE A 22 1.070 9.355 -6.396 1.00 0.00 O ATOM 90 CB PHE A 22 2.685 8.528 -8.600 1.00 0.00 C ATOM 91 CG PHE A 22 4.003 9.181 -8.930 1.00 0.00 C ATOM 92 CD1 PHE A 22 5.048 9.201 -8.016 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.195 9.771 -10.169 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.251 9.792 -8.334 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.399 10.366 -10.490 1.00 0.00 C ATOM 96 CZ PHE A 22 6.427 10.374 -9.570 1.00 0.00 C ATOM 0 H PHE A 22 0.898 6.737 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 22 3.681 7.513 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.434 7.825 -9.394 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.907 9.292 -8.593 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.916 8.748 -7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.393 9.765 -10.892 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.056 9.799 -7.614 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.536 10.824 -11.459 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.370 10.837 -9.819 1.00 0.00 H new ATOM 106 N ILE A 23 2.723 8.708 -5.020 1.00 0.00 N ATOM 107 CA ILE A 23 2.253 9.530 -3.919 1.00 0.00 C ATOM 108 C ILE A 23 3.035 10.830 -3.850 1.00 0.00 C ATOM 109 O ILE A 23 4.179 10.859 -3.401 1.00 0.00 O ATOM 110 CB ILE A 23 2.356 8.788 -2.574 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.814 7.362 -2.717 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.611 9.550 -1.487 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.303 7.285 -2.840 1.00 0.00 C ATOM 0 H ILE A 23 3.564 8.167 -4.819 1.00 0.00 H new ATOM 0 HA ILE A 23 1.202 9.753 -4.106 1.00 0.00 H new ATOM 0 HB ILE A 23 3.405 8.728 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.264 6.900 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.128 6.777 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.694 9.011 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.045 10.544 -1.377 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.560 9.641 -1.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.001 6.243 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.157 7.716 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.019 7.841 -3.720 1.00 0.00 H new ATOM 125 N GLU A 24 2.400 11.901 -4.306 1.00 0.00 N ATOM 126 CA GLU A 24 3.018 13.219 -4.313 1.00 0.00 C ATOM 127 C GLU A 24 2.543 14.039 -3.120 1.00 0.00 C ATOM 128 O GLU A 24 1.341 14.168 -2.885 1.00 0.00 O ATOM 129 CB GLU A 24 2.680 13.949 -5.616 1.00 0.00 C ATOM 130 CG GLU A 24 3.829 14.773 -6.174 1.00 0.00 C ATOM 131 CD GLU A 24 3.370 16.100 -6.746 1.00 0.00 C ATOM 132 OE1 GLU A 24 2.378 16.108 -7.505 1.00 0.00 O ATOM 133 OE2 GLU A 24 4.002 17.131 -6.436 1.00 0.00 O ATOM 0 H GLU A 24 1.451 11.882 -4.678 1.00 0.00 H new ATOM 0 HA GLU A 24 4.099 13.095 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.374 13.216 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.826 14.604 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.558 14.955 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.337 14.202 -6.952 1.00 0.00 H new ATOM 140 N LYS A 25 3.486 14.594 -2.371 1.00 0.00 N ATOM 141 CA LYS A 25 3.153 15.404 -1.203 1.00 0.00 C ATOM 142 C LYS A 25 4.233 16.443 -0.935 1.00 0.00 C ATOM 143 O LYS A 25 5.182 16.581 -1.704 1.00 0.00 O ATOM 144 CB LYS A 25 2.957 14.525 0.041 1.00 0.00 C ATOM 145 CG LYS A 25 3.717 13.205 0.011 1.00 0.00 C ATOM 146 CD LYS A 25 5.205 13.407 -0.209 1.00 0.00 C ATOM 147 CE LYS A 25 5.893 12.108 -0.598 1.00 0.00 C ATOM 148 NZ LYS A 25 5.978 11.160 0.548 1.00 0.00 N ATOM 0 H LYS A 25 4.486 14.500 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 25 2.216 15.918 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.268 15.088 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.894 14.314 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.559 12.675 0.950 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.316 12.574 -0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.360 14.150 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.658 13.801 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.348 11.639 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.896 12.324 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.910 10.698 0.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.849 11.680 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.234 10.439 0.458 1.00 0.00 H new ATOM 162 N GLN A 26 4.084 17.169 0.168 1.00 0.00 N ATOM 163 CA GLN A 26 5.052 18.186 0.544 1.00 0.00 C ATOM 164 C GLN A 26 6.199 17.556 1.320 1.00 0.00 C ATOM 165 O GLN A 26 6.069 16.451 1.844 1.00 0.00 O ATOM 166 CB GLN A 26 4.383 19.275 1.388 1.00 0.00 C ATOM 167 CG GLN A 26 3.421 20.148 0.602 1.00 0.00 C ATOM 168 CD GLN A 26 2.200 19.388 0.126 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.697 18.501 0.816 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.716 19.730 -1.063 1.00 0.00 N ATOM 0 H GLN A 26 3.302 17.070 0.815 1.00 0.00 H new ATOM 0 HA GLN A 26 5.447 18.642 -0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.845 18.805 2.211 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.154 19.906 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.104 20.984 1.225 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.940 20.570 -0.259 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.164 20.471 -1.602 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.896 19.251 -1.437 1.00 0.00 H new ATOM 179 N LYS A 27 7.324 18.254 1.389 1.00 0.00 N ATOM 180 CA LYS A 27 8.482 17.744 2.104 1.00 0.00 C ATOM 181 C LYS A 27 8.198 17.676 3.596 1.00 0.00 C ATOM 182 O LYS A 27 7.829 18.668 4.222 1.00 0.00 O ATOM 183 CB LYS A 27 9.707 18.609 1.828 1.00 0.00 C ATOM 184 CG LYS A 27 10.886 17.827 1.275 1.00 0.00 C ATOM 185 CD LYS A 27 10.481 16.992 0.072 1.00 0.00 C ATOM 186 CE LYS A 27 11.540 17.031 -1.013 1.00 0.00 C ATOM 187 NZ LYS A 27 12.469 15.873 -0.928 1.00 0.00 N ATOM 0 H LYS A 27 7.458 19.170 0.961 1.00 0.00 H new ATOM 0 HA LYS A 27 8.690 16.735 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.437 19.393 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.009 19.103 2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.681 18.517 0.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.290 17.177 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.315 15.961 0.383 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.536 17.361 -0.327 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.057 17.037 -1.990 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.108 17.958 -0.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.434 16.185 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.451 15.484 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.172 15.140 -1.603 1.00 0.00 H new ATOM 201 N GLY A 28 8.352 16.484 4.144 1.00 0.00 N ATOM 202 CA GLY A 28 8.087 16.264 5.549 1.00 0.00 C ATOM 203 C GLY A 28 6.733 15.622 5.759 1.00 0.00 C ATOM 204 O GLY A 28 6.174 15.671 6.855 1.00 0.00 O ATOM 0 H GLY A 28 8.659 15.655 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.864 15.627 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.128 17.214 6.082 1.00 0.00 H new ATOM 208 N GLU A 29 6.201 15.024 4.694 1.00 0.00 N ATOM 209 CA GLU A 29 4.892 14.374 4.755 1.00 0.00 C ATOM 210 C GLU A 29 4.993 12.875 4.479 1.00 0.00 C ATOM 211 O GLU A 29 5.619 12.453 3.505 1.00 0.00 O ATOM 212 CB GLU A 29 3.933 15.024 3.755 1.00 0.00 C ATOM 213 CG GLU A 29 2.752 15.721 4.412 1.00 0.00 C ATOM 214 CD GLU A 29 1.914 14.780 5.253 1.00 0.00 C ATOM 215 OE1 GLU A 29 1.880 13.572 4.937 1.00 0.00 O ATOM 216 OE2 GLU A 29 1.289 15.250 6.228 1.00 0.00 O ATOM 0 H GLU A 29 6.654 14.976 3.781 1.00 0.00 H new ATOM 0 HA GLU A 29 4.506 14.504 5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.483 15.748 3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.560 14.260 3.072 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.118 16.534 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.125 16.170 3.641 1.00 0.00 H new ATOM 223 N ILE A 30 4.365 12.075 5.340 1.00 0.00 N ATOM 224 CA ILE A 30 4.372 10.630 5.191 1.00 0.00 C ATOM 225 C ILE A 30 3.224 10.167 4.297 1.00 0.00 C ATOM 226 O ILE A 30 2.179 10.813 4.232 1.00 0.00 O ATOM 227 CB ILE A 30 4.271 9.932 6.559 1.00 0.00 C ATOM 228 CG1 ILE A 30 2.906 10.195 7.190 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.388 10.399 7.482 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.206 8.938 7.671 1.00 0.00 C ATOM 0 H ILE A 30 3.844 12.411 6.150 1.00 0.00 H new ATOM 0 HA ILE A 30 5.318 10.356 4.724 1.00 0.00 H new ATOM 0 HB ILE A 30 4.380 8.858 6.408 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.030 10.877 8.032 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.270 10.699 6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.300 9.894 8.444 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.353 10.161 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.312 11.476 7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.243 9.202 8.107 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.050 8.264 6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.821 8.444 8.423 1.00 0.00 H new ATOM 242 N LEU A 31 3.423 9.046 3.609 1.00 0.00 N ATOM 243 CA LEU A 31 2.401 8.503 2.719 1.00 0.00 C ATOM 244 C LEU A 31 1.039 8.455 3.409 1.00 0.00 C ATOM 245 O LEU A 31 0.020 8.807 2.816 1.00 0.00 O ATOM 246 CB LEU A 31 2.795 7.099 2.254 1.00 0.00 C ATOM 247 CG LEU A 31 2.610 6.838 0.759 1.00 0.00 C ATOM 248 CD1 LEU A 31 3.738 7.475 -0.031 1.00 0.00 C ATOM 249 CD2 LEU A 31 2.539 5.343 0.482 1.00 0.00 C ATOM 0 H LEU A 31 4.281 8.497 3.651 1.00 0.00 H new ATOM 0 HA LEU A 31 2.326 9.162 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.840 6.928 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.206 6.370 2.810 1.00 0.00 H new ATOM 0 HG LEU A 31 1.669 7.289 0.442 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.593 7.281 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.742 8.551 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.690 7.052 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.407 5.177 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.463 4.868 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.696 4.912 1.023 1.00 0.00 H new ATOM 261 N GLY A 32 1.034 8.018 4.663 1.00 0.00 N ATOM 262 CA GLY A 32 -0.206 7.929 5.410 1.00 0.00 C ATOM 263 C GLY A 32 -0.787 6.528 5.419 1.00 0.00 C ATOM 264 O GLY A 32 -1.787 6.270 6.088 1.00 0.00 O ATOM 0 H GLY A 32 1.866 7.724 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.031 8.251 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.934 8.617 4.980 1.00 0.00 H new ATOM 268 N VAL A 33 -0.160 5.617 4.675 1.00 0.00 N ATOM 269 CA VAL A 33 -0.632 4.238 4.610 1.00 0.00 C ATOM 270 C VAL A 33 0.106 3.352 5.601 1.00 0.00 C ATOM 271 O VAL A 33 1.335 3.272 5.589 1.00 0.00 O ATOM 272 CB VAL A 33 -0.471 3.632 3.201 1.00 0.00 C ATOM 273 CG1 VAL A 33 -1.655 4.001 2.322 1.00 0.00 C ATOM 274 CG2 VAL A 33 0.839 4.068 2.565 1.00 0.00 C ATOM 0 H VAL A 33 0.670 5.809 4.113 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.692 4.273 4.862 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.446 2.547 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.523 3.564 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.573 3.618 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.719 5.086 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.926 3.626 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.859 5.155 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.672 3.736 3.184 1.00 0.00 H new ATOM 284 N VAL A 34 -0.656 2.676 6.445 1.00 0.00 N ATOM 285 CA VAL A 34 -0.088 1.778 7.437 1.00 0.00 C ATOM 286 C VAL A 34 -0.082 0.352 6.904 1.00 0.00 C ATOM 287 O VAL A 34 -1.100 -0.342 6.939 1.00 0.00 O ATOM 288 CB VAL A 34 -0.876 1.834 8.758 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.270 0.895 9.789 1.00 0.00 C ATOM 290 CG2 VAL A 34 -0.917 3.261 9.285 1.00 0.00 C ATOM 0 H VAL A 34 -1.674 2.733 6.463 1.00 0.00 H new ATOM 0 HA VAL A 34 0.934 2.099 7.635 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.898 1.506 8.566 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.843 0.952 10.714 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.294 -0.126 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.762 1.186 9.984 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.477 3.288 10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.099 3.613 9.461 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.403 3.906 8.552 1.00 0.00 H new ATOM 300 N ILE A 35 1.067 -0.079 6.394 1.00 0.00 N ATOM 301 CA ILE A 35 1.184 -1.418 5.840 1.00 0.00 C ATOM 302 C ILE A 35 1.740 -2.407 6.859 1.00 0.00 C ATOM 303 O ILE A 35 2.558 -2.053 7.707 1.00 0.00 O ATOM 304 CB ILE A 35 2.065 -1.457 4.574 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.413 -0.757 4.797 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.329 -0.825 3.403 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.348 -1.491 5.736 1.00 0.00 C ATOM 0 H ILE A 35 1.922 0.476 6.354 1.00 0.00 H new ATOM 0 HA ILE A 35 0.170 -1.711 5.569 1.00 0.00 H new ATOM 0 HB ILE A 35 2.271 -2.503 4.346 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.908 -0.632 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.229 0.242 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.961 -0.858 2.515 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.407 -1.375 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.091 0.212 3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.276 -0.929 5.838 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.876 -1.593 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.565 -2.480 5.333 1.00 0.00 H new ATOM 319 N VAL A 36 1.289 -3.651 6.757 1.00 0.00 N ATOM 320 CA VAL A 36 1.737 -4.711 7.651 1.00 0.00 C ATOM 321 C VAL A 36 2.122 -5.954 6.854 1.00 0.00 C ATOM 322 O VAL A 36 1.645 -6.154 5.740 1.00 0.00 O ATOM 323 CB VAL A 36 0.648 -5.080 8.676 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.354 -3.901 9.590 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.618 -5.543 7.969 1.00 0.00 C ATOM 0 H VAL A 36 0.609 -3.952 6.059 1.00 0.00 H new ATOM 0 HA VAL A 36 2.608 -4.337 8.189 1.00 0.00 H new ATOM 0 HB VAL A 36 1.016 -5.903 9.288 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.418 -4.180 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.261 -3.620 10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.007 -3.057 8.994 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.375 -5.799 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.991 -4.743 7.330 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.395 -6.419 7.360 1.00 0.00 H new ATOM 335 N GLU A 37 2.990 -6.785 7.419 1.00 0.00 N ATOM 336 CA GLU A 37 3.435 -8.001 6.744 1.00 0.00 C ATOM 337 C GLU A 37 2.247 -8.834 6.260 1.00 0.00 C ATOM 338 O GLU A 37 1.425 -9.283 7.059 1.00 0.00 O ATOM 339 CB GLU A 37 4.309 -8.839 7.677 1.00 0.00 C ATOM 340 CG GLU A 37 3.675 -9.095 9.034 1.00 0.00 C ATOM 341 CD GLU A 37 4.594 -9.851 9.975 1.00 0.00 C ATOM 342 OE1 GLU A 37 5.506 -10.545 9.482 1.00 0.00 O ATOM 343 OE2 GLU A 37 4.399 -9.747 11.204 1.00 0.00 O ATOM 0 H GLU A 37 3.400 -6.640 8.342 1.00 0.00 H new ATOM 0 HA GLU A 37 4.021 -7.702 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.524 -9.795 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.263 -8.332 7.820 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.400 -8.143 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.754 -9.661 8.899 1.00 0.00 H new ATOM 350 N SER A 38 2.166 -9.036 4.946 1.00 0.00 N ATOM 351 CA SER A 38 1.081 -9.814 4.355 1.00 0.00 C ATOM 352 C SER A 38 1.197 -11.286 4.739 1.00 0.00 C ATOM 353 O SER A 38 2.023 -12.015 4.195 1.00 0.00 O ATOM 354 CB SER A 38 1.085 -9.665 2.830 1.00 0.00 C ATOM 355 OG SER A 38 2.159 -8.850 2.396 1.00 0.00 O ATOM 0 H SER A 38 2.839 -8.672 4.272 1.00 0.00 H new ATOM 0 HA SER A 38 0.138 -9.430 4.744 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.162 -10.649 2.366 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.140 -9.231 2.502 1.00 0.00 H new ATOM 0 HG SER A 38 2.083 -8.695 1.431 1.00 0.00 H new ATOM 361 N GLY A 39 0.363 -11.715 5.681 1.00 0.00 N ATOM 362 CA GLY A 39 0.392 -13.098 6.123 1.00 0.00 C ATOM 363 C GLY A 39 -0.792 -13.906 5.621 1.00 0.00 C ATOM 364 O GLY A 39 -1.008 -15.035 6.061 1.00 0.00 O ATOM 0 H GLY A 39 -0.332 -11.131 6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.315 -13.564 5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.408 -13.125 7.213 1.00 0.00 H new ATOM 368 N TRP A 40 -1.562 -13.334 4.698 1.00 0.00 N ATOM 369 CA TRP A 40 -2.725 -14.021 4.147 1.00 0.00 C ATOM 370 C TRP A 40 -2.298 -15.132 3.194 1.00 0.00 C ATOM 371 O TRP A 40 -1.107 -15.337 2.956 1.00 0.00 O ATOM 372 CB TRP A 40 -3.637 -13.032 3.418 1.00 0.00 C ATOM 373 CG TRP A 40 -2.926 -12.191 2.400 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.623 -12.304 2.005 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.482 -11.109 1.646 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.333 -11.353 1.057 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.459 -10.608 0.818 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.745 -10.513 1.593 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.663 -9.541 -0.054 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -4.946 -9.455 0.727 1.00 0.00 C ATOM 381 CH2 TRP A 40 -3.910 -8.978 -0.086 1.00 0.00 C ATOM 0 H TRP A 40 -1.402 -12.401 4.318 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.276 -14.466 4.976 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.436 -13.585 2.925 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.108 -12.378 4.152 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.923 -13.034 2.383 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.428 -11.222 0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.549 -10.873 2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.866 -9.171 -0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.918 -8.988 0.676 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.099 -8.149 -0.752 1.00 0.00 H new ATOM 392 N GLY A 41 -3.277 -15.850 2.655 1.00 0.00 N ATOM 393 CA GLY A 41 -2.981 -16.934 1.735 1.00 0.00 C ATOM 394 C GLY A 41 -3.063 -16.504 0.284 1.00 0.00 C ATOM 395 O GLY A 41 -3.802 -17.095 -0.504 1.00 0.00 O ATOM 0 H GLY A 41 -4.269 -15.702 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.982 -17.318 1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.679 -17.753 1.908 1.00 0.00 H new ATOM 399 N SER A 42 -2.303 -15.474 -0.069 1.00 0.00 N ATOM 400 CA SER A 42 -2.292 -14.967 -1.437 1.00 0.00 C ATOM 401 C SER A 42 -0.995 -14.217 -1.727 1.00 0.00 C ATOM 402 O SER A 42 -0.408 -13.603 -0.837 1.00 0.00 O ATOM 403 CB SER A 42 -3.494 -14.050 -1.671 1.00 0.00 C ATOM 404 OG SER A 42 -3.561 -13.631 -3.023 1.00 0.00 O ATOM 0 H SER A 42 -1.687 -14.974 0.572 1.00 0.00 H new ATOM 0 HA SER A 42 -2.357 -15.817 -2.117 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.412 -14.573 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.423 -13.179 -1.020 1.00 0.00 H new ATOM 0 HG SER A 42 -4.339 -13.048 -3.147 1.00 0.00 H new ATOM 410 N ILE A 43 -0.550 -14.281 -2.981 1.00 0.00 N ATOM 411 CA ILE A 43 0.684 -13.618 -3.407 1.00 0.00 C ATOM 412 C ILE A 43 1.812 -13.852 -2.402 1.00 0.00 C ATOM 413 O ILE A 43 1.706 -14.708 -1.523 1.00 0.00 O ATOM 414 CB ILE A 43 0.498 -12.096 -3.614 1.00 0.00 C ATOM 415 CG1 ILE A 43 -0.984 -11.723 -3.688 1.00 0.00 C ATOM 416 CG2 ILE A 43 1.220 -11.642 -4.875 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.559 -11.330 -2.351 1.00 0.00 C ATOM 0 H ILE A 43 -1.029 -14.789 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 43 0.949 -14.063 -4.366 1.00 0.00 H new ATOM 0 HB ILE A 43 0.931 -11.585 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.111 -10.898 -4.389 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.546 -12.568 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.080 -10.569 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.284 -11.861 -4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.813 -12.170 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.613 -11.077 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.461 -12.162 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.019 -10.466 -1.962 1.00 0.00 H new ATOM 429 N LEU A 44 2.894 -13.087 -2.536 1.00 0.00 N ATOM 430 CA LEU A 44 4.036 -13.213 -1.637 1.00 0.00 C ATOM 431 C LEU A 44 3.925 -12.220 -0.480 1.00 0.00 C ATOM 432 O LEU A 44 3.467 -11.095 -0.663 1.00 0.00 O ATOM 433 CB LEU A 44 5.347 -12.987 -2.397 1.00 0.00 C ATOM 434 CG LEU A 44 5.286 -11.934 -3.505 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.613 -11.203 -3.620 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.912 -12.579 -4.831 1.00 0.00 C ATOM 0 H LEU A 44 3.002 -12.375 -3.258 1.00 0.00 H new ATOM 0 HA LEU A 44 4.036 -14.224 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.117 -12.695 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.662 -13.934 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 44 4.516 -11.206 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.550 -10.458 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.839 -10.709 -2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.403 -11.917 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.873 -11.816 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.659 -13.328 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.936 -13.056 -4.741 1.00 0.00 H new ATOM 448 N PRO A 45 4.343 -12.626 0.731 1.00 0.00 N ATOM 449 CA PRO A 45 4.280 -11.765 1.919 1.00 0.00 C ATOM 450 C PRO A 45 5.232 -10.575 1.832 1.00 0.00 C ATOM 451 O PRO A 45 6.445 -10.746 1.703 1.00 0.00 O ATOM 452 CB PRO A 45 4.692 -12.699 3.060 1.00 0.00 C ATOM 453 CG PRO A 45 5.504 -13.763 2.406 1.00 0.00 C ATOM 454 CD PRO A 45 4.902 -13.956 1.042 1.00 0.00 C ATOM 0 HA PRO A 45 3.291 -11.325 2.047 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.271 -12.168 3.816 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.820 -13.119 3.562 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.551 -13.467 2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 45 5.473 -14.688 2.982 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.651 -14.260 0.310 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.131 -14.726 1.047 1.00 0.00 H new ATOM 462 N THR A 46 4.675 -9.369 1.908 1.00 0.00 N ATOM 463 CA THR A 46 5.474 -8.151 1.842 1.00 0.00 C ATOM 464 C THR A 46 4.898 -7.060 2.743 1.00 0.00 C ATOM 465 O THR A 46 5.454 -6.760 3.800 1.00 0.00 O ATOM 466 CB THR A 46 5.553 -7.635 0.405 1.00 0.00 C ATOM 467 OG1 THR A 46 4.263 -7.327 -0.089 1.00 0.00 O ATOM 468 CG2 THR A 46 6.189 -8.616 -0.554 1.00 0.00 C ATOM 0 H THR A 46 3.673 -9.210 2.015 1.00 0.00 H new ATOM 0 HA THR A 46 6.476 -8.399 2.192 1.00 0.00 H new ATOM 0 HB THR A 46 6.181 -6.745 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.966 -8.039 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.212 -8.184 -1.554 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.206 -8.834 -0.230 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.608 -9.538 -0.570 1.00 0.00 H new ATOM 476 N VAL A 47 3.791 -6.462 2.310 1.00 0.00 N ATOM 477 CA VAL A 47 3.154 -5.392 3.075 1.00 0.00 C ATOM 478 C VAL A 47 1.693 -5.202 2.670 1.00 0.00 C ATOM 479 O VAL A 47 1.347 -5.293 1.494 1.00 0.00 O ATOM 480 CB VAL A 47 3.901 -4.058 2.892 1.00 0.00 C ATOM 481 CG1 VAL A 47 5.000 -3.918 3.930 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.470 -3.944 1.487 1.00 0.00 C ATOM 0 H VAL A 47 3.318 -6.698 1.438 1.00 0.00 H new ATOM 0 HA VAL A 47 3.195 -5.690 4.123 1.00 0.00 H new ATOM 0 HB VAL A 47 3.188 -3.245 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.518 -2.970 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.563 -3.945 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.709 -4.739 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.993 -2.993 1.382 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.167 -4.763 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.659 -3.994 0.761 1.00 0.00 H new ATOM 492 N ILE A 48 0.845 -4.928 3.659 1.00 0.00 N ATOM 493 CA ILE A 48 -0.582 -4.714 3.418 1.00 0.00 C ATOM 494 C ILE A 48 -1.048 -3.399 4.020 1.00 0.00 C ATOM 495 O ILE A 48 -0.997 -3.228 5.235 1.00 0.00 O ATOM 496 CB ILE A 48 -1.473 -5.821 4.035 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.696 -7.105 4.330 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.656 -6.111 3.132 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.910 -7.598 5.745 1.00 0.00 C ATOM 0 H ILE A 48 1.121 -4.849 4.638 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.688 -4.719 2.333 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.835 -5.443 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.002 -7.881 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.367 -6.929 4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.272 -6.891 3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.250 -5.205 3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.297 -6.446 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.337 -8.512 5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.579 -6.835 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.969 -7.803 5.903 1.00 0.00 H new ATOM 511 N ILE A 49 -1.544 -2.495 3.180 1.00 0.00 N ATOM 512 CA ILE A 49 -2.065 -1.219 3.664 1.00 0.00 C ATOM 513 C ILE A 49 -3.251 -1.481 4.583 1.00 0.00 C ATOM 514 O ILE A 49 -4.403 -1.251 4.215 1.00 0.00 O ATOM 515 CB ILE A 49 -2.507 -0.316 2.498 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.332 -0.052 1.558 1.00 0.00 C ATOM 517 CG2 ILE A 49 -3.078 0.997 3.022 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.755 0.287 0.148 1.00 0.00 C ATOM 0 H ILE A 49 -1.596 -2.620 2.169 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.272 -0.705 4.207 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.290 -0.830 1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.734 0.768 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.690 -0.933 1.535 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.385 1.621 2.183 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.941 0.791 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.317 1.518 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.871 0.462 -0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.327 -0.541 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.372 1.185 0.159 1.00 0.00 H new ATOM 530 N ALA A 50 -2.957 -1.985 5.776 1.00 0.00 N ATOM 531 CA ALA A 50 -3.990 -2.304 6.746 1.00 0.00 C ATOM 532 C ALA A 50 -4.891 -1.100 6.997 1.00 0.00 C ATOM 533 O ALA A 50 -6.055 -1.247 7.371 1.00 0.00 O ATOM 534 CB ALA A 50 -3.356 -2.794 8.039 1.00 0.00 C ATOM 0 H ALA A 50 -2.007 -2.181 6.093 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.614 -3.102 6.343 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.138 -3.031 8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.765 -3.687 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.711 -2.015 8.446 1.00 0.00 H new ATOM 540 N ASN A 51 -4.343 0.090 6.779 1.00 0.00 N ATOM 541 CA ASN A 51 -5.084 1.326 6.965 1.00 0.00 C ATOM 542 C ASN A 51 -4.334 2.480 6.305 1.00 0.00 C ATOM 543 O ASN A 51 -3.169 2.345 5.934 1.00 0.00 O ATOM 544 CB ASN A 51 -5.315 1.578 8.465 1.00 0.00 C ATOM 545 CG ASN A 51 -5.171 3.036 8.867 1.00 0.00 C ATOM 546 OD1 ASN A 51 -3.946 3.539 8.820 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -6.150 3.697 9.216 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.380 0.222 6.471 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.061 1.247 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.314 1.233 8.733 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.607 0.980 9.038 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.075 3.267 9.237 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.036 4.674 9.484 1.00 0.00 H new ATOM 554 N MET A 52 -5.010 3.611 6.153 1.00 0.00 N ATOM 555 CA MET A 52 -4.407 4.781 5.530 1.00 0.00 C ATOM 556 C MET A 52 -4.888 6.064 6.205 1.00 0.00 C ATOM 557 O MET A 52 -5.800 6.037 7.031 1.00 0.00 O ATOM 558 CB MET A 52 -4.735 4.797 4.034 1.00 0.00 C ATOM 559 CG MET A 52 -6.071 5.449 3.699 1.00 0.00 C ATOM 560 SD MET A 52 -6.396 5.505 1.928 1.00 0.00 S ATOM 561 CE MET A 52 -5.790 3.899 1.424 1.00 0.00 C ATOM 0 H MET A 52 -5.976 3.743 6.453 1.00 0.00 H new ATOM 0 HA MET A 52 -3.325 4.727 5.653 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.942 5.325 3.504 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.739 3.772 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.872 4.900 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.086 6.463 4.099 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.226 3.631 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.704 3.931 1.335 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.071 3.154 2.169 1.00 0.00 H new ATOM 571 N MET A 53 -4.270 7.183 5.847 1.00 0.00 N ATOM 572 CA MET A 53 -4.639 8.474 6.419 1.00 0.00 C ATOM 573 C MET A 53 -5.767 9.119 5.621 1.00 0.00 C ATOM 574 O MET A 53 -5.584 9.503 4.466 1.00 0.00 O ATOM 575 CB MET A 53 -3.426 9.406 6.454 1.00 0.00 C ATOM 576 CG MET A 53 -3.393 10.313 7.673 1.00 0.00 C ATOM 577 SD MET A 53 -1.721 10.564 8.303 1.00 0.00 S ATOM 578 CE MET A 53 -1.317 8.912 8.859 1.00 0.00 C ATOM 0 H MET A 53 -3.513 7.224 5.165 1.00 0.00 H new ATOM 0 HA MET A 53 -4.988 8.306 7.438 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.516 8.806 6.433 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.424 10.020 5.554 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.829 11.278 7.416 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.013 9.882 8.459 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.400 8.940 9.447 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.130 8.526 9.473 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.174 8.262 7.996 1.00 0.00 H new ATOM 588 N HIS A 54 -6.935 9.237 6.245 1.00 0.00 N ATOM 589 CA HIS A 54 -8.094 9.837 5.592 1.00 0.00 C ATOM 590 C HIS A 54 -7.777 11.251 5.112 1.00 0.00 C ATOM 591 O HIS A 54 -7.953 12.222 5.848 1.00 0.00 O ATOM 592 CB HIS A 54 -9.287 9.867 6.547 1.00 0.00 C ATOM 593 CG HIS A 54 -10.612 9.772 5.855 1.00 0.00 C ATOM 594 ND1 HIS A 54 -11.263 10.865 5.323 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.406 8.704 5.605 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.401 10.474 4.779 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.511 9.168 4.937 1.00 0.00 N ATOM 0 H HIS A 54 -7.104 8.925 7.201 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.347 9.226 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.196 9.043 7.254 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.255 10.790 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.207 7.679 5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -13.119 11.114 4.288 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.292 8.596 4.614 1.00 0.00 H new ATOM 606 N GLY A 55 -7.308 11.355 3.873 1.00 0.00 N ATOM 607 CA GLY A 55 -6.971 12.652 3.315 1.00 0.00 C ATOM 608 C GLY A 55 -5.473 12.882 3.248 1.00 0.00 C ATOM 609 O GLY A 55 -5.016 14.023 3.189 1.00 0.00 O ATOM 0 H GLY A 55 -7.155 10.565 3.246 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.393 12.734 2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.429 13.435 3.920 1.00 0.00 H new ATOM 613 N GLY A 56 -4.707 11.794 3.254 1.00 0.00 N ATOM 614 CA GLY A 56 -3.263 11.904 3.191 1.00 0.00 C ATOM 615 C GLY A 56 -2.720 11.605 1.806 1.00 0.00 C ATOM 616 O GLY A 56 -3.485 11.297 0.893 1.00 0.00 O ATOM 0 H GLY A 56 -5.062 10.839 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.965 12.910 3.486 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.817 11.216 3.909 1.00 0.00 H new ATOM 620 N PRO A 57 -1.393 11.689 1.616 1.00 0.00 N ATOM 621 CA PRO A 57 -0.760 11.422 0.320 1.00 0.00 C ATOM 622 C PRO A 57 -1.195 10.087 -0.277 1.00 0.00 C ATOM 623 O PRO A 57 -1.511 10.002 -1.462 1.00 0.00 O ATOM 624 CB PRO A 57 0.733 11.406 0.652 1.00 0.00 C ATOM 625 CG PRO A 57 0.856 12.272 1.856 1.00 0.00 C ATOM 626 CD PRO A 57 -0.403 12.053 2.649 1.00 0.00 C ATOM 0 HA PRO A 57 -1.034 12.165 -0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.084 10.394 0.853 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.328 11.791 -0.176 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.737 12.007 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.964 13.320 1.575 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.281 11.260 3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.699 12.951 3.191 1.00 0.00 H new ATOM 634 N ALA A 58 -1.209 9.046 0.550 1.00 0.00 N ATOM 635 CA ALA A 58 -1.605 7.719 0.100 1.00 0.00 C ATOM 636 C ALA A 58 -3.019 7.736 -0.463 1.00 0.00 C ATOM 637 O ALA A 58 -3.270 7.234 -1.560 1.00 0.00 O ATOM 638 CB ALA A 58 -1.511 6.720 1.242 1.00 0.00 C ATOM 0 H ALA A 58 -0.950 9.097 1.535 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.922 7.414 -0.693 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.811 5.734 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.484 6.679 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.171 7.030 2.052 1.00 0.00 H new ATOM 644 N GLU A 59 -3.939 8.321 0.293 1.00 0.00 N ATOM 645 CA GLU A 59 -5.327 8.410 -0.127 1.00 0.00 C ATOM 646 C GLU A 59 -5.479 9.404 -1.268 1.00 0.00 C ATOM 647 O GLU A 59 -6.334 9.248 -2.141 1.00 0.00 O ATOM 648 CB GLU A 59 -6.209 8.825 1.051 1.00 0.00 C ATOM 649 CG GLU A 59 -7.689 8.829 0.724 1.00 0.00 C ATOM 650 CD GLU A 59 -8.562 8.913 1.959 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.436 8.034 2.837 1.00 0.00 O ATOM 652 OE2 GLU A 59 -9.371 9.860 2.050 1.00 0.00 O ATOM 0 H GLU A 59 -3.746 8.741 1.202 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.644 7.428 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.031 8.146 1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.915 9.821 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.910 9.673 0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.937 7.923 0.170 1.00 0.00 H new ATOM 659 N LYS A 60 -4.640 10.426 -1.245 1.00 0.00 N ATOM 660 CA LYS A 60 -4.658 11.466 -2.266 1.00 0.00 C ATOM 661 C LYS A 60 -4.427 10.872 -3.651 1.00 0.00 C ATOM 662 O LYS A 60 -5.164 11.162 -4.593 1.00 0.00 O ATOM 663 CB LYS A 60 -3.593 12.521 -1.967 1.00 0.00 C ATOM 664 CG LYS A 60 -4.071 13.616 -1.027 1.00 0.00 C ATOM 665 CD LYS A 60 -3.361 14.933 -1.300 1.00 0.00 C ATOM 666 CE LYS A 60 -2.097 15.068 -0.467 1.00 0.00 C ATOM 667 NZ LYS A 60 -1.052 15.863 -1.167 1.00 0.00 N ATOM 0 H LYS A 60 -3.931 10.560 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.641 11.938 -2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.722 12.033 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.268 12.974 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.147 13.751 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.895 13.314 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.109 14.999 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.033 15.762 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.338 15.543 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.706 14.077 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.529 16.436 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.394 15.220 -1.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.502 16.489 -1.865 1.00 0.00 H new ATOM 681 N SER A 61 -3.398 10.036 -3.767 1.00 0.00 N ATOM 682 CA SER A 61 -3.066 9.397 -5.034 1.00 0.00 C ATOM 683 C SER A 61 -4.294 8.745 -5.661 1.00 0.00 C ATOM 684 O SER A 61 -4.528 8.866 -6.863 1.00 0.00 O ATOM 685 CB SER A 61 -1.973 8.350 -4.823 1.00 0.00 C ATOM 686 OG SER A 61 -0.701 8.961 -4.726 1.00 0.00 O ATOM 0 H SER A 61 -2.779 9.786 -2.996 1.00 0.00 H new ATOM 0 HA SER A 61 -2.703 10.167 -5.715 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.178 7.782 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.978 7.641 -5.651 1.00 0.00 H new ATOM 0 HG SER A 61 -0.378 9.187 -5.623 1.00 0.00 H new ATOM 692 N GLY A 62 -5.073 8.054 -4.838 1.00 0.00 N ATOM 693 CA GLY A 62 -6.267 7.392 -5.329 1.00 0.00 C ATOM 694 C GLY A 62 -5.975 6.011 -5.888 1.00 0.00 C ATOM 695 O GLY A 62 -6.868 5.348 -6.414 1.00 0.00 O ATOM 0 H GLY A 62 -4.900 7.940 -3.839 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.991 7.307 -4.519 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.726 8.005 -6.104 1.00 0.00 H new ATOM 699 N LYS A 63 -4.723 5.580 -5.770 1.00 0.00 N ATOM 700 CA LYS A 63 -4.317 4.270 -6.262 1.00 0.00 C ATOM 701 C LYS A 63 -4.301 3.258 -5.127 1.00 0.00 C ATOM 702 O LYS A 63 -4.910 2.192 -5.218 1.00 0.00 O ATOM 703 CB LYS A 63 -2.928 4.346 -6.892 1.00 0.00 C ATOM 704 CG LYS A 63 -2.879 5.184 -8.157 1.00 0.00 C ATOM 705 CD LYS A 63 -2.678 6.656 -7.843 1.00 0.00 C ATOM 706 CE LYS A 63 -3.218 7.532 -8.958 1.00 0.00 C ATOM 707 NZ LYS A 63 -2.493 8.830 -9.046 1.00 0.00 N ATOM 0 H LYS A 63 -3.973 6.119 -5.338 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.037 3.952 -7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.230 4.761 -6.164 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.587 3.337 -7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.068 4.833 -8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.805 5.054 -8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.179 6.903 -6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.617 6.859 -7.699 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.133 7.004 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.279 7.719 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.653 9.254 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.845 9.475 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.475 8.669 -8.908 1.00 0.00 H new ATOM 721 N LEU A 64 -3.591 3.603 -4.060 1.00 0.00 N ATOM 722 CA LEU A 64 -3.480 2.731 -2.903 1.00 0.00 C ATOM 723 C LEU A 64 -4.765 2.733 -2.088 1.00 0.00 C ATOM 724 O LEU A 64 -5.246 3.783 -1.666 1.00 0.00 O ATOM 725 CB LEU A 64 -2.307 3.163 -2.020 1.00 0.00 C ATOM 726 CG LEU A 64 -0.936 2.653 -2.466 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.125 3.007 -1.439 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.972 1.148 -2.702 1.00 0.00 C ATOM 0 H LEU A 64 -3.083 4.483 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.303 1.718 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.279 4.252 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.492 2.818 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.680 3.140 -3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.094 2.636 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.172 4.090 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.128 2.550 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.013 0.806 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.253 0.642 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.702 0.919 -3.478 1.00 0.00 H new ATOM 740 N ASN A 65 -5.305 1.543 -1.867 1.00 0.00 N ATOM 741 CA ASN A 65 -6.529 1.383 -1.094 1.00 0.00 C ATOM 742 C ASN A 65 -6.321 0.348 0.004 1.00 0.00 C ATOM 743 O ASN A 65 -5.723 -0.701 -0.234 1.00 0.00 O ATOM 744 CB ASN A 65 -7.684 0.958 -2.003 1.00 0.00 C ATOM 745 CG ASN A 65 -7.303 -0.176 -2.933 1.00 0.00 C ATOM 746 OD1 ASN A 65 -6.767 0.168 -4.098 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -7.486 -1.349 -2.608 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.912 0.668 -2.215 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.780 2.340 -0.638 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.531 0.651 -1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.011 1.814 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.901 -1.569 -1.703 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.223 -2.102 -3.244 1.00 0.00 H new ATOM 754 N ILE A 66 -6.811 0.648 1.209 1.00 0.00 N ATOM 755 CA ILE A 66 -6.673 -0.258 2.347 1.00 0.00 C ATOM 756 C ILE A 66 -6.825 -1.718 1.916 1.00 0.00 C ATOM 757 O ILE A 66 -7.921 -2.170 1.583 1.00 0.00 O ATOM 758 CB ILE A 66 -7.696 0.076 3.449 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.269 1.354 4.169 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.830 -1.074 4.440 1.00 0.00 C ATOM 761 CD1 ILE A 66 -8.124 1.684 5.366 1.00 0.00 C ATOM 0 H ILE A 66 -7.308 1.514 1.420 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.670 -0.121 2.751 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.671 0.230 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.232 1.252 4.490 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.304 2.187 3.466 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.559 -0.811 5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.163 -1.969 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.864 -1.266 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.764 2.603 5.828 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.158 1.819 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.069 0.869 6.088 1.00 0.00 H new ATOM 773 N GLY A 67 -5.709 -2.437 1.906 1.00 0.00 N ATOM 774 CA GLY A 67 -5.716 -3.828 1.495 1.00 0.00 C ATOM 775 C GLY A 67 -4.781 -4.078 0.326 1.00 0.00 C ATOM 776 O GLY A 67 -4.556 -5.223 -0.069 1.00 0.00 O ATOM 0 H GLY A 67 -4.793 -2.078 2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.422 -4.456 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.729 -4.120 1.218 1.00 0.00 H new ATOM 780 N ASP A 68 -4.227 -2.999 -0.223 1.00 0.00 N ATOM 781 CA ASP A 68 -3.304 -3.086 -1.345 1.00 0.00 C ATOM 782 C ASP A 68 -1.971 -3.669 -0.893 1.00 0.00 C ATOM 783 O ASP A 68 -1.345 -3.155 0.035 1.00 0.00 O ATOM 784 CB ASP A 68 -3.110 -1.701 -1.957 1.00 0.00 C ATOM 785 CG ASP A 68 -4.066 -1.445 -3.107 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.584 -2.427 -3.681 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.297 -0.262 -3.434 1.00 0.00 O ATOM 0 H ASP A 68 -4.406 -2.047 0.097 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.722 -3.750 -2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.257 -0.942 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.084 -1.602 -2.311 1.00 0.00 H new ATOM 792 N GLN A 69 -1.542 -4.748 -1.543 1.00 0.00 N ATOM 793 CA GLN A 69 -0.286 -5.386 -1.181 1.00 0.00 C ATOM 794 C GLN A 69 0.875 -4.737 -1.920 1.00 0.00 C ATOM 795 O GLN A 69 1.149 -5.053 -3.076 1.00 0.00 O ATOM 796 CB GLN A 69 -0.340 -6.885 -1.478 1.00 0.00 C ATOM 797 CG GLN A 69 0.456 -7.726 -0.493 1.00 0.00 C ATOM 798 CD GLN A 69 1.518 -8.569 -1.170 1.00 0.00 C ATOM 799 OE1 GLN A 69 2.514 -8.049 -1.669 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.305 -9.878 -1.195 1.00 0.00 N ATOM 0 H GLN A 69 -2.041 -5.192 -2.314 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.129 -5.253 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.380 -7.213 -1.467 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.039 -7.062 -2.485 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.929 -7.071 0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.224 -8.377 0.055 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.464 -10.266 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.982 -10.496 -1.641 1.00 0.00 H new ATOM 809 N ILE A 70 1.544 -3.815 -1.245 1.00 0.00 N ATOM 810 CA ILE A 70 2.670 -3.104 -1.835 1.00 0.00 C ATOM 811 C ILE A 70 3.858 -4.038 -2.053 1.00 0.00 C ATOM 812 O ILE A 70 4.117 -4.929 -1.246 1.00 0.00 O ATOM 813 CB ILE A 70 3.095 -1.913 -0.954 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.850 -1.224 -0.364 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.940 -0.935 -1.764 1.00 0.00 C ATOM 816 CD1 ILE A 70 2.100 0.187 0.131 1.00 0.00 C ATOM 0 H ILE A 70 1.327 -3.541 -0.287 1.00 0.00 H new ATOM 0 HA ILE A 70 2.344 -2.724 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 70 3.704 -2.276 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.068 -1.198 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.472 -1.826 0.462 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.234 -0.098 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.832 -1.443 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.359 -0.565 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.175 0.602 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.858 0.169 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.448 0.806 -0.696 1.00 0.00 H new ATOM 828 N MET A 71 4.565 -3.840 -3.164 1.00 0.00 N ATOM 829 CA MET A 71 5.712 -4.679 -3.500 1.00 0.00 C ATOM 830 C MET A 71 7.027 -3.909 -3.419 1.00 0.00 C ATOM 831 O MET A 71 8.061 -4.481 -3.083 1.00 0.00 O ATOM 832 CB MET A 71 5.544 -5.264 -4.903 1.00 0.00 C ATOM 833 CG MET A 71 4.583 -6.439 -4.960 1.00 0.00 C ATOM 834 SD MET A 71 5.393 -8.016 -4.635 1.00 0.00 S ATOM 835 CE MET A 71 3.977 -9.103 -4.502 1.00 0.00 C ATOM 0 H MET A 71 4.364 -3.108 -3.845 1.00 0.00 H new ATOM 0 HA MET A 71 5.751 -5.484 -2.767 1.00 0.00 H new ATOM 0 HB2 MET A 71 5.189 -4.482 -5.574 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.518 -5.583 -5.274 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.786 -6.287 -4.232 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.114 -6.472 -5.943 1.00 0.00 H new ATOM 0 HE1 MET A 71 3.817 -9.366 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.092 -8.597 -4.888 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.158 -10.009 -5.080 1.00 0.00 H new ATOM 845 N SER A 72 6.993 -2.617 -3.739 1.00 0.00 N ATOM 846 CA SER A 72 8.208 -1.807 -3.700 1.00 0.00 C ATOM 847 C SER A 72 7.876 -0.322 -3.606 1.00 0.00 C ATOM 848 O SER A 72 6.804 0.109 -4.028 1.00 0.00 O ATOM 849 CB SER A 72 9.059 -2.070 -4.942 1.00 0.00 C ATOM 850 OG SER A 72 10.252 -1.305 -4.917 1.00 0.00 O ATOM 0 H SER A 72 6.152 -2.115 -4.024 1.00 0.00 H new ATOM 0 HA SER A 72 8.771 -2.090 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 72 9.305 -3.130 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.486 -1.826 -5.837 1.00 0.00 H new ATOM 0 HG SER A 72 10.778 -1.494 -5.722 1.00 0.00 H new ATOM 856 N ILE A 73 8.803 0.456 -3.054 1.00 0.00 N ATOM 857 CA ILE A 73 8.606 1.894 -2.908 1.00 0.00 C ATOM 858 C ILE A 73 9.766 2.680 -3.513 1.00 0.00 C ATOM 859 O ILE A 73 10.923 2.484 -3.142 1.00 0.00 O ATOM 860 CB ILE A 73 8.440 2.290 -1.433 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.307 1.486 -0.804 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.165 3.780 -1.314 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.603 1.040 0.605 1.00 0.00 C ATOM 0 H ILE A 73 9.697 0.115 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 73 7.691 2.142 -3.447 1.00 0.00 H new ATOM 0 HB ILE A 73 9.365 2.068 -0.901 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.399 2.090 -0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.107 0.610 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.050 4.046 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.998 4.339 -1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.250 4.025 -1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.756 0.474 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.493 0.410 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.774 1.913 1.235 1.00 0.00 H new ATOM 875 N ASN A 74 9.442 3.573 -4.445 1.00 0.00 N ATOM 876 CA ASN A 74 10.447 4.400 -5.111 1.00 0.00 C ATOM 877 C ASN A 74 11.647 3.562 -5.548 1.00 0.00 C ATOM 878 O ASN A 74 12.774 4.057 -5.607 1.00 0.00 O ATOM 879 CB ASN A 74 10.904 5.527 -4.180 1.00 0.00 C ATOM 880 CG ASN A 74 10.448 6.892 -4.654 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.314 7.133 -5.854 1.00 0.00 O ATOM 882 ND2 ASN A 74 10.206 7.796 -3.711 1.00 0.00 N ATOM 0 H ASN A 74 8.486 3.743 -4.758 1.00 0.00 H new ATOM 0 HA ASN A 74 9.993 4.834 -6.002 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.516 5.346 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 74 11.992 5.516 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.896 8.733 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.330 7.553 -2.728 1.00 0.00 H new ATOM 889 N GLY A 75 11.398 2.292 -5.847 1.00 0.00 N ATOM 890 CA GLY A 75 12.466 1.406 -6.268 1.00 0.00 C ATOM 891 C GLY A 75 13.049 0.614 -5.112 1.00 0.00 C ATOM 892 O GLY A 75 14.180 0.133 -5.189 1.00 0.00 O ATOM 0 H GLY A 75 10.475 1.860 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.087 0.717 -7.023 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.256 1.991 -6.739 1.00 0.00 H new ATOM 896 N THR A 76 12.275 0.476 -4.041 1.00 0.00 N ATOM 897 CA THR A 76 12.716 -0.263 -2.866 1.00 0.00 C ATOM 898 C THR A 76 11.851 -1.499 -2.650 1.00 0.00 C ATOM 899 O THR A 76 10.764 -1.417 -2.079 1.00 0.00 O ATOM 900 CB THR A 76 12.663 0.633 -1.631 1.00 0.00 C ATOM 901 OG1 THR A 76 13.182 1.920 -1.921 1.00 0.00 O ATOM 902 CG2 THR A 76 13.438 0.081 -0.454 1.00 0.00 C ATOM 0 H THR A 76 11.336 0.868 -3.963 1.00 0.00 H new ATOM 0 HA THR A 76 13.744 -0.585 -3.030 1.00 0.00 H new ATOM 0 HB THR A 76 11.609 0.684 -1.359 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.455 2.506 -2.219 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.358 0.768 0.389 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.029 -0.889 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.486 -0.034 -0.730 1.00 0.00 H new ATOM 910 N SER A 77 12.339 -2.643 -3.119 1.00 0.00 N ATOM 911 CA SER A 77 11.611 -3.900 -2.988 1.00 0.00 C ATOM 912 C SER A 77 11.209 -4.159 -1.539 1.00 0.00 C ATOM 913 O SER A 77 12.010 -3.992 -0.620 1.00 0.00 O ATOM 914 CB SER A 77 12.460 -5.061 -3.509 1.00 0.00 C ATOM 915 OG SER A 77 12.071 -5.427 -4.822 1.00 0.00 O ATOM 0 H SER A 77 13.238 -2.725 -3.594 1.00 0.00 H new ATOM 0 HA SER A 77 10.702 -3.823 -3.585 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.512 -4.777 -3.504 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.358 -5.918 -2.843 1.00 0.00 H new ATOM 0 HG SER A 77 12.629 -6.170 -5.134 1.00 0.00 H new ATOM 921 N LEU A 78 9.961 -4.575 -1.347 1.00 0.00 N ATOM 922 CA LEU A 78 9.442 -4.867 -0.016 1.00 0.00 C ATOM 923 C LEU A 78 9.232 -6.367 0.173 1.00 0.00 C ATOM 924 O LEU A 78 8.630 -6.800 1.154 1.00 0.00 O ATOM 925 CB LEU A 78 8.120 -4.134 0.207 1.00 0.00 C ATOM 926 CG LEU A 78 8.244 -2.625 0.397 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.884 -1.958 0.254 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.860 -2.315 1.751 1.00 0.00 C ATOM 0 H LEU A 78 9.288 -4.718 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 78 10.176 -4.524 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.467 -4.325 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.631 -4.557 1.085 1.00 0.00 H new ATOM 0 HG LEU A 78 8.900 -2.226 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.990 -0.882 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.483 -2.158 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.203 -2.355 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.943 -1.235 1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.228 -2.723 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.851 -2.764 1.811 1.00 0.00 H new ATOM 940 N VAL A 79 9.725 -7.153 -0.778 1.00 0.00 N ATOM 941 CA VAL A 79 9.584 -8.602 -0.721 1.00 0.00 C ATOM 942 C VAL A 79 10.707 -9.239 0.092 1.00 0.00 C ATOM 943 O VAL A 79 11.872 -9.191 -0.300 1.00 0.00 O ATOM 944 CB VAL A 79 9.589 -9.220 -2.130 1.00 0.00 C ATOM 945 CG1 VAL A 79 9.157 -10.674 -2.075 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.696 -8.423 -3.074 1.00 0.00 C ATOM 0 H VAL A 79 10.226 -6.810 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 79 8.628 -8.803 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 79 10.607 -9.181 -2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 79 9.166 -11.095 -3.081 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.844 -11.234 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.150 -10.739 -1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 79 8.715 -8.878 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.674 -8.423 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 79 9.059 -7.397 -3.139 1.00 0.00 H new ATOM 956 N GLY A 80 10.348 -9.846 1.219 1.00 0.00 N ATOM 957 CA GLY A 80 11.341 -10.497 2.054 1.00 0.00 C ATOM 958 C GLY A 80 11.696 -9.697 3.291 1.00 0.00 C ATOM 959 O GLY A 80 11.983 -10.269 4.343 1.00 0.00 O ATOM 0 H GLY A 80 9.391 -9.899 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.967 -11.475 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.244 -10.668 1.468 1.00 0.00 H new ATOM 963 N LEU A 81 11.687 -8.373 3.175 1.00 0.00 N ATOM 964 CA LEU A 81 12.024 -7.515 4.308 1.00 0.00 C ATOM 965 C LEU A 81 10.862 -7.433 5.301 1.00 0.00 C ATOM 966 O LEU A 81 9.731 -7.131 4.921 1.00 0.00 O ATOM 967 CB LEU A 81 12.413 -6.107 3.839 1.00 0.00 C ATOM 968 CG LEU A 81 11.623 -5.560 2.647 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.412 -4.061 2.795 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.347 -5.872 1.345 1.00 0.00 C ATOM 0 H LEU A 81 11.453 -7.873 2.317 1.00 0.00 H new ATOM 0 HA LEU A 81 12.881 -7.962 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.293 -5.420 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.471 -6.111 3.578 1.00 0.00 H new ATOM 0 HG LEU A 81 10.647 -6.044 2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.849 -3.687 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.857 -3.860 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.379 -3.560 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.774 -5.477 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.335 -5.411 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.452 -6.952 1.237 1.00 0.00 H new ATOM 982 N PRO A 82 11.128 -7.705 6.596 1.00 0.00 N ATOM 983 CA PRO A 82 10.097 -7.661 7.640 1.00 0.00 C ATOM 984 C PRO A 82 9.369 -6.322 7.684 1.00 0.00 C ATOM 985 O PRO A 82 9.774 -5.364 7.029 1.00 0.00 O ATOM 986 CB PRO A 82 10.883 -7.880 8.936 1.00 0.00 C ATOM 987 CG PRO A 82 12.122 -8.587 8.516 1.00 0.00 C ATOM 988 CD PRO A 82 12.447 -8.075 7.142 1.00 0.00 C ATOM 0 HA PRO A 82 9.319 -8.404 7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 82 11.114 -6.933 9.423 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.312 -8.474 9.649 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.939 -8.388 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 82 11.970 -9.666 8.504 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.121 -7.219 7.181 1.00 0.00 H new ATOM 0 HD3 PRO A 82 12.935 -8.837 6.534 1.00 0.00 H new ATOM 996 N LEU A 83 8.293 -6.264 8.463 1.00 0.00 N ATOM 997 CA LEU A 83 7.507 -5.043 8.593 1.00 0.00 C ATOM 998 C LEU A 83 8.358 -3.897 9.127 1.00 0.00 C ATOM 999 O LEU A 83 8.156 -2.741 8.757 1.00 0.00 O ATOM 1000 CB LEU A 83 6.307 -5.273 9.514 1.00 0.00 C ATOM 1001 CG LEU A 83 5.468 -4.025 9.804 1.00 0.00 C ATOM 1002 CD1 LEU A 83 5.094 -3.318 8.509 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.222 -4.393 10.593 1.00 0.00 C ATOM 0 H LEU A 83 7.946 -7.049 9.014 1.00 0.00 H new ATOM 0 HA LEU A 83 7.147 -4.772 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.663 -6.030 9.066 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.666 -5.680 10.460 1.00 0.00 H new ATOM 0 HG LEU A 83 6.066 -3.341 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.498 -2.434 8.736 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.001 -3.019 7.983 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.515 -3.994 7.880 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.638 -3.494 10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.621 -5.097 10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.512 -4.852 11.538 1.00 0.00 H new ATOM 1015 N SER A 84 9.311 -4.218 9.997 1.00 0.00 N ATOM 1016 CA SER A 84 10.186 -3.202 10.574 1.00 0.00 C ATOM 1017 C SER A 84 10.844 -2.376 9.475 1.00 0.00 C ATOM 1018 O SER A 84 10.797 -1.145 9.491 1.00 0.00 O ATOM 1019 CB SER A 84 11.256 -3.857 11.450 1.00 0.00 C ATOM 1020 OG SER A 84 12.306 -2.949 11.735 1.00 0.00 O ATOM 0 H SER A 84 9.497 -5.169 10.317 1.00 0.00 H new ATOM 0 HA SER A 84 9.581 -2.539 11.193 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.807 -4.203 12.381 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.657 -4.735 10.944 1.00 0.00 H new ATOM 0 HG SER A 84 12.976 -3.390 12.297 1.00 0.00 H new ATOM 1026 N THR A 85 11.446 -3.065 8.511 1.00 0.00 N ATOM 1027 CA THR A 85 12.102 -2.399 7.397 1.00 0.00 C ATOM 1028 C THR A 85 11.088 -1.618 6.569 1.00 0.00 C ATOM 1029 O THR A 85 11.337 -0.480 6.177 1.00 0.00 O ATOM 1030 CB THR A 85 12.820 -3.417 6.518 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.735 -4.182 7.281 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.585 -2.789 5.373 1.00 0.00 C ATOM 0 H THR A 85 11.492 -4.084 8.481 1.00 0.00 H new ATOM 0 HA THR A 85 12.836 -1.701 7.799 1.00 0.00 H new ATOM 0 HB THR A 85 12.032 -4.045 6.102 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.184 -4.830 6.699 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.071 -3.570 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.896 -2.235 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.339 -2.109 5.769 1.00 0.00 H new ATOM 1040 N CYS A 86 9.937 -2.238 6.315 1.00 0.00 N ATOM 1041 CA CYS A 86 8.878 -1.605 5.535 1.00 0.00 C ATOM 1042 C CYS A 86 8.458 -0.282 6.164 1.00 0.00 C ATOM 1043 O CYS A 86 8.409 0.745 5.488 1.00 0.00 O ATOM 1044 CB CYS A 86 7.673 -2.539 5.422 1.00 0.00 C ATOM 1045 SG CYS A 86 8.097 -4.235 4.953 1.00 0.00 S ATOM 0 H CYS A 86 9.715 -3.179 6.639 1.00 0.00 H new ATOM 0 HA CYS A 86 9.265 -1.403 4.536 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.150 -2.557 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.979 -2.132 4.687 1.00 0.00 H new ATOM 0 HG CYS A 86 9.015 -4.690 5.753 1.00 0.00 H new ATOM 1051 N GLN A 87 8.170 -0.306 7.459 1.00 0.00 N ATOM 1052 CA GLN A 87 7.772 0.904 8.168 1.00 0.00 C ATOM 1053 C GLN A 87 8.843 1.978 8.023 1.00 0.00 C ATOM 1054 O GLN A 87 8.539 3.160 7.870 1.00 0.00 O ATOM 1055 CB GLN A 87 7.527 0.603 9.648 1.00 0.00 C ATOM 1056 CG GLN A 87 6.501 -0.493 9.884 1.00 0.00 C ATOM 1057 CD GLN A 87 5.076 0.029 9.876 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.432 0.127 10.921 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.579 0.366 8.693 1.00 0.00 N ATOM 0 H GLN A 87 8.204 -1.145 8.038 1.00 0.00 H new ATOM 0 HA GLN A 87 6.844 1.270 7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.470 0.313 10.112 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.194 1.514 10.145 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.608 -1.257 9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.702 -0.974 10.841 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.150 0.268 7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.626 0.723 8.623 1.00 0.00 H new ATOM 1068 N SER A 88 10.101 1.551 8.066 1.00 0.00 N ATOM 1069 CA SER A 88 11.223 2.465 7.935 1.00 0.00 C ATOM 1070 C SER A 88 11.301 3.042 6.522 1.00 0.00 C ATOM 1071 O SER A 88 11.689 4.194 6.335 1.00 0.00 O ATOM 1072 CB SER A 88 12.532 1.754 8.284 1.00 0.00 C ATOM 1073 OG SER A 88 13.283 2.500 9.225 1.00 0.00 O ATOM 0 H SER A 88 10.366 0.574 8.191 1.00 0.00 H new ATOM 0 HA SER A 88 11.068 3.288 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.316 0.765 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.121 1.606 7.379 1.00 0.00 H new ATOM 0 HG SER A 88 14.114 2.023 9.432 1.00 0.00 H new ATOM 1079 N ILE A 89 10.919 2.237 5.532 1.00 0.00 N ATOM 1080 CA ILE A 89 10.936 2.674 4.149 1.00 0.00 C ATOM 1081 C ILE A 89 9.937 3.799 3.950 1.00 0.00 C ATOM 1082 O ILE A 89 10.201 4.757 3.234 1.00 0.00 O ATOM 1083 CB ILE A 89 10.611 1.507 3.189 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.721 0.455 3.261 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.437 2.012 1.763 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.594 -0.646 2.229 1.00 0.00 C ATOM 0 H ILE A 89 10.595 1.280 5.668 1.00 0.00 H new ATOM 0 HA ILE A 89 11.939 3.033 3.920 1.00 0.00 H new ATOM 0 HB ILE A 89 9.671 1.049 3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.684 0.949 3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.721 0.009 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.209 1.173 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.620 2.732 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.358 2.492 1.432 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.417 -1.351 2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.647 -1.168 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.626 -0.213 1.229 1.00 0.00 H new ATOM 1098 N ILE A 90 8.791 3.680 4.604 1.00 0.00 N ATOM 1099 CA ILE A 90 7.756 4.698 4.514 1.00 0.00 C ATOM 1100 C ILE A 90 8.114 5.897 5.376 1.00 0.00 C ATOM 1101 O ILE A 90 7.955 7.046 4.963 1.00 0.00 O ATOM 1102 CB ILE A 90 6.390 4.153 4.955 1.00 0.00 C ATOM 1103 CG1 ILE A 90 6.148 2.778 4.330 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.291 5.137 4.574 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.716 2.296 4.429 1.00 0.00 C ATOM 0 H ILE A 90 8.555 2.889 5.203 1.00 0.00 H new ATOM 0 HA ILE A 90 7.690 5.001 3.469 1.00 0.00 H new ATOM 0 HB ILE A 90 6.378 4.036 6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.436 2.813 3.279 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.799 2.051 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.325 4.744 4.890 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.472 6.093 5.066 1.00 0.00 H new ATOM 0 HG23 ILE A 90 5.289 5.280 3.493 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.629 1.315 3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.427 2.226 5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.059 3.000 3.918 1.00 0.00 H new ATOM 1117 N LYS A 91 8.606 5.617 6.579 1.00 0.00 N ATOM 1118 CA LYS A 91 8.999 6.667 7.507 1.00 0.00 C ATOM 1119 C LYS A 91 10.112 7.518 6.905 1.00 0.00 C ATOM 1120 O LYS A 91 10.083 8.746 6.982 1.00 0.00 O ATOM 1121 CB LYS A 91 9.458 6.057 8.835 1.00 0.00 C ATOM 1122 CG LYS A 91 8.530 6.367 10.000 1.00 0.00 C ATOM 1123 CD LYS A 91 7.845 5.112 10.518 1.00 0.00 C ATOM 1124 CE LYS A 91 6.796 4.608 9.539 1.00 0.00 C ATOM 1125 NZ LYS A 91 5.434 5.099 9.884 1.00 0.00 N ATOM 0 H LYS A 91 8.741 4.670 6.933 1.00 0.00 H new ATOM 0 HA LYS A 91 8.136 7.305 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.536 4.976 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.457 6.426 9.069 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.099 6.831 10.806 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.777 7.089 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.589 4.334 10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.376 5.322 11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.054 4.932 8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.798 3.518 9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.748 4.734 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.177 4.768 10.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.425 6.139 9.864 1.00 0.00 H new ATOM 1139 N GLY A 92 11.090 6.851 6.301 1.00 0.00 N ATOM 1140 CA GLY A 92 12.199 7.555 5.685 1.00 0.00 C ATOM 1141 C GLY A 92 11.765 8.384 4.491 1.00 0.00 C ATOM 1142 O GLY A 92 12.510 9.245 4.023 1.00 0.00 O ATOM 0 H GLY A 92 11.134 5.835 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.669 8.205 6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.953 6.834 5.369 1.00 0.00 H new ATOM 1146 N LEU A 93 10.555 8.128 4.001 1.00 0.00 N ATOM 1147 CA LEU A 93 10.023 8.861 2.856 1.00 0.00 C ATOM 1148 C LEU A 93 9.186 10.047 3.316 1.00 0.00 C ATOM 1149 O LEU A 93 8.157 10.363 2.719 1.00 0.00 O ATOM 1150 CB LEU A 93 9.172 7.940 1.984 1.00 0.00 C ATOM 1151 CG LEU A 93 9.932 6.804 1.306 1.00 0.00 C ATOM 1152 CD1 LEU A 93 8.965 5.891 0.574 1.00 0.00 C ATOM 1153 CD2 LEU A 93 10.977 7.357 0.349 1.00 0.00 C ATOM 0 H LEU A 93 9.925 7.420 4.378 1.00 0.00 H new ATOM 0 HA LEU A 93 10.865 9.231 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 93 8.382 7.511 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.686 8.541 1.215 1.00 0.00 H new ATOM 0 HG LEU A 93 10.446 6.223 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.519 5.084 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.253 5.470 1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.427 6.462 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 93 11.509 6.532 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 93 10.487 7.960 -0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.685 7.976 0.901 1.00 0.00 H new ATOM 1165 N LYS A 94 9.629 10.698 4.382 1.00 0.00 N ATOM 1166 CA LYS A 94 8.924 11.840 4.922 1.00 0.00 C ATOM 1167 C LYS A 94 9.215 13.089 4.107 1.00 0.00 C ATOM 1168 O LYS A 94 8.354 13.951 3.947 1.00 0.00 O ATOM 1169 CB LYS A 94 9.314 12.062 6.384 1.00 0.00 C ATOM 1170 CG LYS A 94 8.230 11.656 7.364 1.00 0.00 C ATOM 1171 CD LYS A 94 8.776 11.534 8.776 1.00 0.00 C ATOM 1172 CE LYS A 94 8.482 12.780 9.595 1.00 0.00 C ATOM 1173 NZ LYS A 94 9.217 12.777 10.891 1.00 0.00 N ATOM 0 H LYS A 94 10.478 10.449 4.889 1.00 0.00 H new ATOM 0 HA LYS A 94 7.854 11.636 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.220 11.496 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.553 13.115 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.426 12.392 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.797 10.704 7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.336 10.664 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.853 11.368 8.738 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.759 13.665 9.022 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.411 12.846 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.990 13.643 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.934 11.946 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.240 12.740 10.710 1.00 0.00 H new ATOM 1187 N ASN A 95 10.438 13.188 3.597 1.00 0.00 N ATOM 1188 CA ASN A 95 10.836 14.342 2.811 1.00 0.00 C ATOM 1189 C ASN A 95 11.263 13.944 1.400 1.00 0.00 C ATOM 1190 O ASN A 95 12.417 14.127 1.011 1.00 0.00 O ATOM 1191 CB ASN A 95 11.976 15.084 3.511 1.00 0.00 C ATOM 1192 CG ASN A 95 13.070 14.148 3.986 1.00 0.00 C ATOM 1193 OD1 ASN A 95 14.082 13.966 3.309 1.00 0.00 O ATOM 1194 ND2 ASN A 95 12.872 13.549 5.154 1.00 0.00 N ATOM 0 H ASN A 95 11.166 12.484 3.715 1.00 0.00 H new ATOM 0 HA ASN A 95 9.971 14.999 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.402 15.818 2.827 1.00 0.00 H new ATOM 0 HB3 ASN A 95 11.578 15.635 4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 95 13.574 12.908 5.524 1.00 0.00 H new ATOM 0 HD22 ASN A 95 12.018 13.730 5.681 1.00 0.00 H new ATOM 1201 N GLN A 96 10.318 13.412 0.633 1.00 0.00 N ATOM 1202 CA GLN A 96 10.587 13.003 -0.744 1.00 0.00 C ATOM 1203 C GLN A 96 9.709 13.782 -1.714 1.00 0.00 C ATOM 1204 O GLN A 96 10.123 14.102 -2.828 1.00 0.00 O ATOM 1205 CB GLN A 96 10.339 11.503 -0.928 1.00 0.00 C ATOM 1206 CG GLN A 96 10.608 10.678 0.315 1.00 0.00 C ATOM 1207 CD GLN A 96 12.088 10.526 0.603 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.488 10.841 1.830 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 12.864 10.131 -0.266 1.00 0.00 N flip ATOM 0 H GLN A 96 9.358 13.253 0.940 1.00 0.00 H new ATOM 0 HA GLN A 96 11.635 13.217 -0.954 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.305 11.351 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.970 11.137 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.121 11.147 1.170 1.00 0.00 H new ATOM 0 HG3 GLN A 96 10.161 9.691 0.195 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.514 9.900 -1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.858 10.034 -0.057 1.00 0.00 H new ATOM 1218 N SER A 97 8.488 14.080 -1.278 1.00 0.00 N ATOM 1219 CA SER A 97 7.530 14.817 -2.094 1.00 0.00 C ATOM 1220 C SER A 97 6.949 13.947 -3.210 1.00 0.00 C ATOM 1221 O SER A 97 6.140 14.416 -4.009 1.00 0.00 O ATOM 1222 CB SER A 97 8.182 16.065 -2.695 1.00 0.00 C ATOM 1223 OG SER A 97 7.205 17.000 -3.116 1.00 0.00 O ATOM 0 H SER A 97 8.138 13.819 -0.356 1.00 0.00 H new ATOM 0 HA SER A 97 6.712 15.118 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.838 16.527 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.806 15.781 -3.542 1.00 0.00 H new ATOM 0 HG SER A 97 6.312 16.660 -2.900 1.00 0.00 H new ATOM 1229 N ARG A 98 7.356 12.678 -3.262 1.00 0.00 N ATOM 1230 CA ARG A 98 6.862 11.759 -4.282 1.00 0.00 C ATOM 1231 C ARG A 98 7.206 10.320 -3.908 1.00 0.00 C ATOM 1232 O ARG A 98 8.253 10.060 -3.316 1.00 0.00 O ATOM 1233 CB ARG A 98 7.454 12.108 -5.651 1.00 0.00 C ATOM 1234 CG ARG A 98 6.444 12.692 -6.629 1.00 0.00 C ATOM 1235 CD ARG A 98 6.967 13.960 -7.285 1.00 0.00 C ATOM 1236 NE ARG A 98 6.922 15.107 -6.380 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.378 16.318 -6.694 1.00 0.00 C ATOM 1238 NH1 ARG A 98 7.913 16.546 -7.886 1.00 0.00 N ATOM 1239 NH2 ARG A 98 7.297 17.304 -5.811 1.00 0.00 N ATOM 0 H ARG A 98 8.024 12.266 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 98 5.778 11.856 -4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.266 12.822 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.890 11.209 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.212 11.954 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.514 12.910 -6.105 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.993 13.800 -7.615 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.376 14.178 -8.175 1.00 0.00 H new ATOM 0 HE ARG A 98 6.517 14.972 -5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.977 15.791 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.260 17.476 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.886 17.134 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 98 7.646 18.232 -6.050 1.00 0.00 H new ATOM 1253 N VAL A 99 6.318 9.387 -4.242 1.00 0.00 N ATOM 1254 CA VAL A 99 6.541 7.982 -3.916 1.00 0.00 C ATOM 1255 C VAL A 99 6.110 7.053 -5.048 1.00 0.00 C ATOM 1256 O VAL A 99 4.920 6.793 -5.235 1.00 0.00 O ATOM 1257 CB VAL A 99 5.797 7.586 -2.627 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.267 6.227 -2.136 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.994 8.646 -1.552 1.00 0.00 C ATOM 0 H VAL A 99 5.445 9.576 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 99 7.615 7.869 -3.766 1.00 0.00 H new ATOM 0 HB VAL A 99 4.732 7.518 -2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.730 5.964 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.072 5.476 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.337 6.265 -1.929 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.462 8.351 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 99 7.057 8.747 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.605 9.600 -1.907 1.00 0.00 H new ATOM 1269 N LYS A 100 7.093 6.537 -5.780 1.00 0.00 N ATOM 1270 CA LYS A 100 6.833 5.613 -6.879 1.00 0.00 C ATOM 1271 C LYS A 100 6.872 4.184 -6.359 1.00 0.00 C ATOM 1272 O LYS A 100 7.867 3.477 -6.526 1.00 0.00 O ATOM 1273 CB LYS A 100 7.882 5.780 -7.982 1.00 0.00 C ATOM 1274 CG LYS A 100 8.179 7.228 -8.327 1.00 0.00 C ATOM 1275 CD LYS A 100 7.967 7.508 -9.807 1.00 0.00 C ATOM 1276 CE LYS A 100 6.559 7.142 -10.253 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.546 6.558 -11.625 1.00 0.00 N ATOM 0 H LYS A 100 8.081 6.744 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 100 5.849 5.831 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.806 5.293 -7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.538 5.265 -8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.537 7.882 -7.737 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.208 7.463 -8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.149 8.564 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.693 6.943 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.129 6.428 -9.550 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.928 8.031 -10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.569 6.322 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.933 7.248 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.127 5.696 -11.641 1.00 0.00 H new ATOM 1291 N LEU A 101 5.795 3.770 -5.714 1.00 0.00 N ATOM 1292 CA LEU A 101 5.720 2.431 -5.150 1.00 0.00 C ATOM 1293 C LEU A 101 4.776 1.543 -5.950 1.00 0.00 C ATOM 1294 O LEU A 101 3.584 1.825 -6.071 1.00 0.00 O ATOM 1295 CB LEU A 101 5.299 2.499 -3.678 1.00 0.00 C ATOM 1296 CG LEU A 101 3.900 3.036 -3.428 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.450 2.703 -2.016 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.845 4.540 -3.665 1.00 0.00 C ATOM 0 H LEU A 101 4.962 4.339 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 101 6.712 1.982 -5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.368 1.499 -3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.012 3.125 -3.142 1.00 0.00 H new ATOM 0 HG LEU A 101 3.220 2.557 -4.132 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.446 3.094 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.444 1.621 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.136 3.154 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.833 4.901 -3.480 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.538 5.040 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.124 4.756 -4.696 1.00 0.00 H new ATOM 1310 N ASN A 102 5.327 0.466 -6.499 1.00 0.00 N ATOM 1311 CA ASN A 102 4.548 -0.474 -7.291 1.00 0.00 C ATOM 1312 C ASN A 102 3.910 -1.525 -6.393 1.00 0.00 C ATOM 1313 O ASN A 102 4.600 -2.358 -5.808 1.00 0.00 O ATOM 1314 CB ASN A 102 5.432 -1.149 -8.342 1.00 0.00 C ATOM 1315 CG ASN A 102 5.334 -0.475 -9.697 1.00 0.00 C ATOM 1316 OD1 ASN A 102 6.218 0.287 -10.091 1.00 0.00 O ATOM 1317 ND2 ASN A 102 4.254 -0.751 -10.417 1.00 0.00 N ATOM 0 H ASN A 102 6.314 0.223 -6.409 1.00 0.00 H new ATOM 0 HA ASN A 102 3.758 0.079 -7.800 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.469 -1.134 -8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 102 5.143 -2.196 -8.438 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.131 -0.326 -11.336 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.546 -1.388 -10.051 1.00 0.00 H new ATOM 1324 N ILE A 103 2.590 -1.472 -6.282 1.00 0.00 N ATOM 1325 CA ILE A 103 1.859 -2.412 -5.445 1.00 0.00 C ATOM 1326 C ILE A 103 1.089 -3.423 -6.288 1.00 0.00 C ATOM 1327 O ILE A 103 1.042 -3.316 -7.512 1.00 0.00 O ATOM 1328 CB ILE A 103 0.884 -1.677 -4.504 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.287 -1.076 -5.281 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.609 -0.590 -3.733 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.623 -1.436 -4.688 1.00 0.00 C ATOM 0 H ILE A 103 2.004 -0.788 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 103 2.596 -2.945 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 103 0.487 -2.407 -3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.184 0.009 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.248 -1.421 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.906 -0.081 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.407 -1.036 -3.139 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.036 0.129 -4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.418 -0.982 -5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -1.742 -2.519 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.678 -1.067 -3.664 1.00 0.00 H new ATOM 1343 N VAL A 104 0.483 -4.402 -5.622 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.287 -5.427 -6.312 1.00 0.00 C ATOM 1345 C VAL A 104 -1.690 -5.555 -5.734 1.00 0.00 C ATOM 1346 O VAL A 104 -1.900 -5.388 -4.528 1.00 0.00 O ATOM 1347 CB VAL A 104 0.397 -6.806 -6.247 1.00 0.00 C ATOM 1348 CG1 VAL A 104 1.422 -6.952 -7.360 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.033 -7.031 -4.888 1.00 0.00 C ATOM 0 H VAL A 104 0.511 -4.505 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.347 -5.107 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.366 -7.571 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.893 -7.933 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.927 -6.850 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 104 2.182 -6.178 -7.258 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.509 -8.011 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.781 -6.260 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.266 -6.984 -4.115 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.643 -5.862 -6.606 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.031 -6.029 -6.199 1.00 0.00 C ATOM 1361 C ARG A 105 -4.431 -7.501 -6.258 1.00 0.00 C ATOM 1362 O ARG A 105 -3.813 -8.291 -6.970 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.955 -5.193 -7.089 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.747 -4.144 -6.327 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.545 -3.258 -7.267 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.635 -2.569 -6.579 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.792 -3.145 -6.262 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -9.013 -4.419 -6.565 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.732 -2.448 -5.638 1.00 0.00 N ATOM 0 H ARG A 105 -2.478 -6.001 -7.603 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.131 -5.682 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -4.358 -4.699 -7.856 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.649 -5.858 -7.604 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.423 -4.635 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.066 -3.530 -5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -5.882 -2.523 -7.722 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.953 -3.863 -8.076 1.00 0.00 H new ATOM 0 HE ARG A 105 -7.501 -1.590 -6.327 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -8.294 -4.962 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.902 -4.855 -6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.568 -1.470 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.619 -2.890 -5.395 1.00 0.00 H new TER 1383 ARG A 105