USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=22 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 69 GLN : amide:sc= -5.76! C(o=-13!,f=-28!) USER MOD Set 1.2: A 71 MET CE :methyl -167:sc= -6.75! (180deg=-5.71!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -141:sc= 0.659 (180deg=0.263) USER MOD Single : A 26 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -167:sc= 0.669 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 42:sc= -2.61! USER MOD Single : A 51 ASN :FLIP amide:sc= -0.741 F(o=-4.3!,f=-0.74) USER MOD Single : A 52 MET CE :methyl 139:sc= -3.76! (180deg=-8.22!) USER MOD Single : A 53 MET CE :methyl 149:sc= -1.2 (180deg=-2.83!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -45:sc= 0.948 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.152 F(o=-1.4,f=-0.15) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -7.69! C(o=-11!,f=-7.7!) USER MOD Single : A 76 THR OG1 : rot 74:sc= 1.28 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 -160:sc= 0 USER MOD Single : A 86 CYS SG : rot 66:sc= -1.05 USER MOD Single : A 87 GLN : amide:sc= -0.491 X(o=-0.49,f=0) 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+ 140:sc= 0.382 (180deg=0.00385) USER MOD Single : A 95 ASN : amide:sc= -3.58 K(o=-3.6,f=-10!) USER MOD Single : A 96 GLN : amide:sc= -1.15 K(o=-1.1,f=-5.2!) USER MOD Single : A 97 SER OG : rot 93:sc= -0.522 USER MOD Single : A 100 LYS NZ :NH3+ 136:sc= 0.581 (180deg=-0.957!) USER MOD Single : A 102 ASN :FLIP amide:sc= 0.463 F(o=-1.7,f=0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -2.984 -7.092 -10.594 1.00 0.00 N ATOM 2 CA GLU A 17 -2.991 -5.777 -11.219 1.00 0.00 C ATOM 3 C GLU A 17 -1.960 -4.865 -10.567 1.00 0.00 C ATOM 4 O GLU A 17 -2.214 -4.276 -9.515 1.00 0.00 O ATOM 5 CB GLU A 17 -4.384 -5.151 -11.125 1.00 0.00 C ATOM 6 CG GLU A 17 -4.821 -4.440 -12.396 1.00 0.00 C ATOM 7 CD GLU A 17 -3.802 -3.428 -12.881 1.00 0.00 C ATOM 8 OE1 GLU A 17 -2.772 -3.848 -13.450 1.00 0.00 O ATOM 9 OE2 GLU A 17 -4.033 -2.215 -12.692 1.00 0.00 O ATOM 0 HA GLU A 17 -2.729 -5.897 -12.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.108 -5.931 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.399 -4.441 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.995 -5.178 -13.179 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.771 -3.936 -12.217 1.00 0.00 H new ATOM 16 N PHE A 18 -0.797 -4.750 -11.200 1.00 0.00 N ATOM 17 CA PHE A 18 0.269 -3.902 -10.685 1.00 0.00 C ATOM 18 C PHE A 18 -0.091 -2.435 -10.877 1.00 0.00 C ATOM 19 O PHE A 18 -0.627 -2.051 -11.918 1.00 0.00 O ATOM 20 CB PHE A 18 1.590 -4.224 -11.384 1.00 0.00 C ATOM 21 CG PHE A 18 2.556 -4.982 -10.522 1.00 0.00 C ATOM 22 CD1 PHE A 18 2.290 -6.289 -10.142 1.00 0.00 C ATOM 23 CD2 PHE A 18 3.732 -4.389 -10.088 1.00 0.00 C ATOM 24 CE1 PHE A 18 3.178 -6.988 -9.347 1.00 0.00 C ATOM 25 CE2 PHE A 18 4.623 -5.083 -9.292 1.00 0.00 C ATOM 26 CZ PHE A 18 4.346 -6.385 -8.921 1.00 0.00 C ATOM 0 H PHE A 18 -0.570 -5.233 -12.069 1.00 0.00 H new ATOM 0 HA PHE A 18 0.388 -4.096 -9.619 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.384 -4.806 -12.282 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.057 -3.294 -11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.379 -6.766 -10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.954 -3.372 -10.376 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.959 -8.006 -9.059 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.535 -4.609 -8.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.041 -6.930 -8.299 1.00 0.00 H new ATOM 36 N LYS A 19 0.181 -1.619 -9.865 1.00 0.00 N ATOM 37 CA LYS A 19 -0.143 -0.202 -9.930 1.00 0.00 C ATOM 38 C LYS A 19 1.046 0.678 -9.549 1.00 0.00 C ATOM 39 O LYS A 19 1.507 0.654 -8.408 1.00 0.00 O ATOM 40 CB LYS A 19 -1.320 0.096 -8.999 1.00 0.00 C ATOM 41 CG LYS A 19 -2.428 0.897 -9.655 1.00 0.00 C ATOM 42 CD LYS A 19 -3.801 0.424 -9.206 1.00 0.00 C ATOM 43 CE LYS A 19 -4.899 0.965 -10.109 1.00 0.00 C ATOM 44 NZ LYS A 19 -6.007 -0.016 -10.282 1.00 0.00 N ATOM 0 H LYS A 19 0.623 -1.914 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.408 0.030 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.731 -0.845 -8.635 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.955 0.642 -8.129 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.308 1.953 -9.411 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.349 0.809 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.830 -0.666 -9.208 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.980 0.746 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.294 1.889 -9.687 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.479 1.214 -11.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.736 0.389 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.635 -0.889 -10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.425 -0.234 -9.355 1.00 0.00 H new ATOM 58 N ASP A 20 1.514 1.481 -10.503 1.00 0.00 N ATOM 59 CA ASP A 20 2.622 2.396 -10.254 1.00 0.00 C ATOM 60 C ASP A 20 2.110 3.574 -9.440 1.00 0.00 C ATOM 61 O ASP A 20 1.967 4.685 -9.951 1.00 0.00 O ATOM 62 CB ASP A 20 3.227 2.887 -11.571 1.00 0.00 C ATOM 63 CG ASP A 20 4.043 1.814 -12.266 1.00 0.00 C ATOM 64 OD1 ASP A 20 5.224 1.638 -11.901 1.00 0.00 O ATOM 65 OD2 ASP A 20 3.500 1.153 -13.176 1.00 0.00 O ATOM 0 H ASP A 20 1.143 1.515 -11.453 1.00 0.00 H new ATOM 0 HA ASP A 20 3.403 1.874 -9.701 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.428 3.219 -12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.860 3.753 -11.377 1.00 0.00 H new ATOM 70 N VAL A 21 1.817 3.313 -8.173 1.00 0.00 N ATOM 71 CA VAL A 21 1.295 4.335 -7.284 1.00 0.00 C ATOM 72 C VAL A 21 2.251 5.507 -7.166 1.00 0.00 C ATOM 73 O VAL A 21 3.415 5.339 -6.808 1.00 0.00 O ATOM 74 CB VAL A 21 1.017 3.778 -5.873 1.00 0.00 C ATOM 75 CG1 VAL A 21 0.395 4.848 -4.984 1.00 0.00 C ATOM 76 CG2 VAL A 21 0.113 2.558 -5.952 1.00 0.00 C ATOM 0 H VAL A 21 1.934 2.397 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 21 0.357 4.674 -7.724 1.00 0.00 H new ATOM 0 HB VAL A 21 1.966 3.477 -5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.207 4.434 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.078 5.694 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.545 5.183 -5.422 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.073 2.177 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.833 2.836 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.597 1.785 -6.549 1.00 0.00 H new ATOM 86 N PHE A 22 1.744 6.696 -7.453 1.00 0.00 N ATOM 87 CA PHE A 22 2.548 7.896 -7.354 1.00 0.00 C ATOM 88 C PHE A 22 2.012 8.786 -6.247 1.00 0.00 C ATOM 89 O PHE A 22 0.997 9.461 -6.416 1.00 0.00 O ATOM 90 CB PHE A 22 2.556 8.660 -8.680 1.00 0.00 C ATOM 91 CG PHE A 22 3.876 9.306 -9.004 1.00 0.00 C ATOM 92 CD1 PHE A 22 4.872 9.422 -8.041 1.00 0.00 C ATOM 93 CD2 PHE A 22 4.126 9.789 -10.277 1.00 0.00 C ATOM 94 CE1 PHE A 22 6.082 10.003 -8.346 1.00 0.00 C ATOM 95 CE2 PHE A 22 5.338 10.375 -10.584 1.00 0.00 C ATOM 96 CZ PHE A 22 6.315 10.480 -9.616 1.00 0.00 C ATOM 0 H PHE A 22 0.782 6.852 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 22 3.572 7.605 -7.121 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.291 7.974 -9.485 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.784 9.429 -8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.694 9.052 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.365 9.707 -11.038 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.848 10.085 -7.589 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.521 10.750 -11.580 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.264 10.937 -9.855 1.00 0.00 H new ATOM 106 N ILE A 23 2.700 8.786 -5.115 1.00 0.00 N ATOM 107 CA ILE A 23 2.285 9.597 -3.985 1.00 0.00 C ATOM 108 C ILE A 23 3.100 10.877 -3.932 1.00 0.00 C ATOM 109 O ILE A 23 4.256 10.874 -3.511 1.00 0.00 O ATOM 110 CB ILE A 23 2.441 8.834 -2.657 1.00 0.00 C ATOM 111 CG1 ILE A 23 1.938 7.392 -2.810 1.00 0.00 C ATOM 112 CG2 ILE A 23 1.705 9.555 -1.537 1.00 0.00 C ATOM 113 CD1 ILE A 23 0.427 7.259 -2.846 1.00 0.00 C ATOM 0 H ILE A 23 3.544 8.236 -4.957 1.00 0.00 H new ATOM 0 HA ILE A 23 1.231 9.838 -4.121 1.00 0.00 H new ATOM 0 HB ILE A 23 3.498 8.799 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.350 6.971 -3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.324 6.795 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.826 9.001 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.115 10.558 -1.419 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.645 9.623 -1.783 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.157 6.209 -2.956 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.005 7.647 -1.919 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.032 7.826 -3.689 1.00 0.00 H new ATOM 125 N GLU A 24 2.486 11.967 -4.363 1.00 0.00 N ATOM 126 CA GLU A 24 3.146 13.265 -4.373 1.00 0.00 C ATOM 127 C GLU A 24 2.702 14.095 -3.176 1.00 0.00 C ATOM 128 O GLU A 24 1.536 14.474 -3.070 1.00 0.00 O ATOM 129 CB GLU A 24 2.833 14.009 -5.674 1.00 0.00 C ATOM 130 CG GLU A 24 3.494 13.395 -6.899 1.00 0.00 C ATOM 131 CD GLU A 24 2.525 13.204 -8.049 1.00 0.00 C ATOM 132 OE1 GLU A 24 1.799 12.188 -8.052 1.00 0.00 O ATOM 133 OE2 GLU A 24 2.495 14.070 -8.950 1.00 0.00 O ATOM 0 H GLU A 24 1.528 11.980 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 24 4.223 13.107 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.753 14.025 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.157 15.045 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.315 14.034 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.927 12.432 -6.629 1.00 0.00 H new ATOM 140 N LYS A 25 3.634 14.367 -2.271 1.00 0.00 N ATOM 141 CA LYS A 25 3.328 15.145 -1.076 1.00 0.00 C ATOM 142 C LYS A 25 4.333 16.276 -0.893 1.00 0.00 C ATOM 143 O LYS A 25 5.132 16.562 -1.783 1.00 0.00 O ATOM 144 CB LYS A 25 3.323 14.233 0.157 1.00 0.00 C ATOM 145 CG LYS A 25 4.627 13.479 0.372 1.00 0.00 C ATOM 146 CD LYS A 25 4.382 12.011 0.692 1.00 0.00 C ATOM 147 CE LYS A 25 5.321 11.105 -0.088 1.00 0.00 C ATOM 148 NZ LYS A 25 6.750 11.378 0.231 1.00 0.00 N ATOM 0 H LYS A 25 4.605 14.062 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 25 2.338 15.586 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.113 14.835 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.510 13.513 0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.245 13.558 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.185 13.941 1.187 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.517 11.843 1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.349 11.754 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.091 10.064 0.138 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.155 11.244 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.318 11.311 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.840 12.334 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.091 10.680 0.922 1.00 0.00 H new ATOM 162 N GLN A 26 4.286 16.918 0.268 1.00 0.00 N ATOM 163 CA GLN A 26 5.195 18.015 0.570 1.00 0.00 C ATOM 164 C GLN A 26 6.299 17.544 1.507 1.00 0.00 C ATOM 165 O GLN A 26 6.031 16.880 2.509 1.00 0.00 O ATOM 166 CB GLN A 26 4.434 19.182 1.200 1.00 0.00 C ATOM 167 CG GLN A 26 3.774 20.098 0.182 1.00 0.00 C ATOM 168 CD GLN A 26 2.260 20.011 0.213 1.00 0.00 C ATOM 169 OE1 GLN A 26 1.578 20.988 0.521 1.00 0.00 O ATOM 170 NE2 GLN A 26 1.728 18.838 -0.109 1.00 0.00 N ATOM 0 H GLN A 26 3.628 16.697 1.015 1.00 0.00 H new ATOM 0 HA GLN A 26 5.646 18.355 -0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.670 18.787 1.870 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.122 19.767 1.810 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.079 21.127 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.129 19.841 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.332 18.055 -0.358 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.715 18.720 -0.108 1.00 0.00 H new ATOM 179 N LYS A 27 7.541 17.884 1.176 1.00 0.00 N ATOM 180 CA LYS A 27 8.687 17.489 1.991 1.00 0.00 C ATOM 181 C LYS A 27 8.412 17.734 3.468 1.00 0.00 C ATOM 182 O LYS A 27 8.167 18.864 3.892 1.00 0.00 O ATOM 183 CB LYS A 27 9.939 18.245 1.549 1.00 0.00 C ATOM 184 CG LYS A 27 10.774 17.485 0.531 1.00 0.00 C ATOM 185 CD LYS A 27 12.199 17.280 1.016 1.00 0.00 C ATOM 186 CE LYS A 27 13.052 16.590 -0.036 1.00 0.00 C ATOM 187 NZ LYS A 27 13.857 17.562 -0.825 1.00 0.00 N ATOM 0 H LYS A 27 7.780 18.432 0.350 1.00 0.00 H new ATOM 0 HA LYS A 27 8.855 16.421 1.849 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.644 19.204 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 10.553 18.460 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.314 16.517 0.333 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.785 18.032 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.641 18.244 1.269 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.192 16.684 1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.718 15.876 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.409 16.021 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.424 17.051 -1.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.221 18.228 -1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.489 18.087 -0.188 1.00 0.00 H new ATOM 201 N GLY A 28 8.425 16.655 4.236 1.00 0.00 N ATOM 202 CA GLY A 28 8.149 16.742 5.653 1.00 0.00 C ATOM 203 C GLY A 28 6.822 16.095 5.995 1.00 0.00 C ATOM 204 O GLY A 28 6.302 16.266 7.098 1.00 0.00 O ATOM 0 H GLY A 28 8.624 15.713 3.898 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.948 16.256 6.212 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.136 17.788 5.960 1.00 0.00 H new ATOM 208 N GLU A 29 6.271 15.346 5.038 1.00 0.00 N ATOM 209 CA GLU A 29 4.992 14.668 5.235 1.00 0.00 C ATOM 210 C GLU A 29 5.076 13.197 4.836 1.00 0.00 C ATOM 211 O GLU A 29 5.508 12.869 3.731 1.00 0.00 O ATOM 212 CB GLU A 29 3.896 15.364 4.427 1.00 0.00 C ATOM 213 CG GLU A 29 3.913 16.879 4.555 1.00 0.00 C ATOM 214 CD GLU A 29 3.267 17.361 5.839 1.00 0.00 C ATOM 215 OE1 GLU A 29 3.341 16.635 6.852 1.00 0.00 O ATOM 216 OE2 GLU A 29 2.687 18.469 5.831 1.00 0.00 O ATOM 0 H GLU A 29 6.691 15.195 4.121 1.00 0.00 H new ATOM 0 HA GLU A 29 4.747 14.719 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.005 15.095 3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.925 14.991 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.944 17.232 4.516 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.393 17.318 3.704 1.00 0.00 H new ATOM 223 N ILE A 30 4.655 12.314 5.742 1.00 0.00 N ATOM 224 CA ILE A 30 4.681 10.882 5.482 1.00 0.00 C ATOM 225 C ILE A 30 3.606 10.484 4.475 1.00 0.00 C ATOM 226 O ILE A 30 2.577 11.149 4.354 1.00 0.00 O ATOM 227 CB ILE A 30 4.494 10.072 6.780 1.00 0.00 C ATOM 228 CG1 ILE A 30 3.077 10.249 7.318 1.00 0.00 C ATOM 229 CG2 ILE A 30 5.521 10.489 7.821 1.00 0.00 C ATOM 230 CD1 ILE A 30 2.350 8.939 7.558 1.00 0.00 C ATOM 0 H ILE A 30 4.293 12.569 6.661 1.00 0.00 H new ATOM 0 HA ILE A 30 5.661 10.653 5.063 1.00 0.00 H new ATOM 0 HB ILE A 30 4.646 9.016 6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.120 10.808 8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.502 10.850 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.374 9.907 8.731 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.524 10.311 7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.402 11.549 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.350 9.143 7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.275 8.387 6.621 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.902 8.345 8.286 1.00 0.00 H new ATOM 242 N LEU A 31 3.852 9.393 3.757 1.00 0.00 N ATOM 243 CA LEU A 31 2.908 8.897 2.759 1.00 0.00 C ATOM 244 C LEU A 31 1.497 8.802 3.332 1.00 0.00 C ATOM 245 O LEU A 31 0.546 9.328 2.754 1.00 0.00 O ATOM 246 CB LEU A 31 3.358 7.525 2.253 1.00 0.00 C ATOM 247 CG LEU A 31 3.107 7.268 0.768 1.00 0.00 C ATOM 248 CD1 LEU A 31 4.247 6.461 0.168 1.00 0.00 C ATOM 249 CD2 LEU A 31 1.784 6.551 0.571 1.00 0.00 C ATOM 0 H LEU A 31 4.700 8.833 3.847 1.00 0.00 H new ATOM 0 HA LEU A 31 2.890 9.603 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.424 7.414 2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.845 6.756 2.831 1.00 0.00 H new ATOM 0 HG LEU A 31 3.058 8.228 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.052 6.287 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.181 7.012 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.327 5.504 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.620 6.375 -0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.805 5.597 1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.975 7.165 0.966 1.00 0.00 H new ATOM 261 N GLY A 32 1.369 8.133 4.471 1.00 0.00 N ATOM 262 CA GLY A 32 0.070 7.990 5.103 1.00 0.00 C ATOM 263 C GLY A 32 -0.511 6.597 4.948 1.00 0.00 C ATOM 264 O GLY A 32 -1.720 6.409 5.080 1.00 0.00 O ATOM 0 H GLY A 32 2.140 7.687 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.160 8.225 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.620 8.716 4.673 1.00 0.00 H new ATOM 268 N VAL A 33 0.343 5.616 4.674 1.00 0.00 N ATOM 269 CA VAL A 33 -0.112 4.238 4.513 1.00 0.00 C ATOM 270 C VAL A 33 0.445 3.347 5.608 1.00 0.00 C ATOM 271 O VAL A 33 1.654 3.295 5.829 1.00 0.00 O ATOM 272 CB VAL A 33 0.286 3.633 3.151 1.00 0.00 C ATOM 273 CG1 VAL A 33 -0.838 3.793 2.142 1.00 0.00 C ATOM 274 CG2 VAL A 33 1.579 4.248 2.635 1.00 0.00 C ATOM 0 H VAL A 33 1.348 5.747 4.559 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.200 4.279 4.572 1.00 0.00 H new ATOM 0 HB VAL A 33 0.462 2.567 3.293 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.536 3.359 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.729 3.283 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.057 4.852 2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.835 3.803 1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.447 5.323 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.382 4.059 3.348 1.00 0.00 H new ATOM 284 N VAL A 34 -0.446 2.634 6.277 1.00 0.00 N ATOM 285 CA VAL A 34 -0.048 1.724 7.335 1.00 0.00 C ATOM 286 C VAL A 34 -0.093 0.290 6.827 1.00 0.00 C ATOM 287 O VAL A 34 -1.157 -0.331 6.776 1.00 0.00 O ATOM 288 CB VAL A 34 -0.956 1.870 8.568 1.00 0.00 C ATOM 289 CG1 VAL A 34 -0.449 1.007 9.711 1.00 0.00 C ATOM 290 CG2 VAL A 34 -1.043 3.329 8.986 1.00 0.00 C ATOM 0 H VAL A 34 -1.451 2.669 6.105 1.00 0.00 H new ATOM 0 HA VAL A 34 0.970 1.975 7.633 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.957 1.527 8.307 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.105 1.124 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.440 -0.038 9.401 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.562 1.315 9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.688 3.419 9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.047 3.697 9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.456 3.918 8.167 1.00 0.00 H new ATOM 300 N ILE A 35 1.065 -0.225 6.431 1.00 0.00 N ATOM 301 CA ILE A 35 1.142 -1.579 5.908 1.00 0.00 C ATOM 302 C ILE A 35 1.660 -2.562 6.949 1.00 0.00 C ATOM 303 O ILE A 35 2.513 -2.228 7.772 1.00 0.00 O ATOM 304 CB ILE A 35 2.031 -1.672 4.648 1.00 0.00 C ATOM 305 CG1 ILE A 35 3.374 -0.966 4.854 1.00 0.00 C ATOM 306 CG2 ILE A 35 1.305 -1.084 3.447 1.00 0.00 C ATOM 307 CD1 ILE A 35 4.306 -1.677 5.811 1.00 0.00 C ATOM 0 H ILE A 35 1.955 0.272 6.462 1.00 0.00 H new ATOM 0 HA ILE A 35 0.120 -1.846 5.638 1.00 0.00 H new ATOM 0 HB ILE A 35 2.235 -2.726 4.461 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.870 -0.864 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.189 0.042 5.225 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.942 -1.156 2.566 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.382 -1.637 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.070 -0.037 3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.234 -1.113 5.902 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.832 -1.756 6.789 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.524 -2.676 5.432 1.00 0.00 H new ATOM 319 N VAL A 36 1.139 -3.782 6.895 1.00 0.00 N ATOM 320 CA VAL A 36 1.545 -4.835 7.815 1.00 0.00 C ATOM 321 C VAL A 36 1.989 -6.069 7.039 1.00 0.00 C ATOM 322 O VAL A 36 1.650 -6.224 5.869 1.00 0.00 O ATOM 323 CB VAL A 36 0.402 -5.221 8.774 1.00 0.00 C ATOM 324 CG1 VAL A 36 0.206 -4.147 9.831 1.00 0.00 C ATOM 325 CG2 VAL A 36 -0.889 -5.462 8.003 1.00 0.00 C ATOM 0 H VAL A 36 0.430 -4.067 6.219 1.00 0.00 H new ATOM 0 HA VAL A 36 2.376 -4.451 8.406 1.00 0.00 H new ATOM 0 HB VAL A 36 0.675 -6.149 9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.605 -4.437 10.499 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.125 -4.030 10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.042 -3.202 9.348 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.683 -5.733 8.699 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.169 -4.554 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.740 -6.272 7.289 1.00 0.00 H new ATOM 335 N GLU A 37 2.751 -6.940 7.685 1.00 0.00 N ATOM 336 CA GLU A 37 3.236 -8.151 7.031 1.00 0.00 C ATOM 337 C GLU A 37 2.075 -9.039 6.588 1.00 0.00 C ATOM 338 O GLU A 37 1.305 -9.527 7.417 1.00 0.00 O ATOM 339 CB GLU A 37 4.161 -8.927 7.971 1.00 0.00 C ATOM 340 CG GLU A 37 5.508 -8.256 8.188 1.00 0.00 C ATOM 341 CD GLU A 37 6.621 -8.911 7.395 1.00 0.00 C ATOM 342 OE1 GLU A 37 6.669 -8.710 6.163 1.00 0.00 O ATOM 343 OE2 GLU A 37 7.444 -9.625 8.005 1.00 0.00 O ATOM 0 H GLU A 37 3.046 -6.834 8.655 1.00 0.00 H new ATOM 0 HA GLU A 37 3.796 -7.854 6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.666 -9.050 8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.323 -9.926 7.566 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.436 -7.206 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.757 -8.285 9.249 1.00 0.00 H new ATOM 350 N SER A 38 1.958 -9.249 5.279 1.00 0.00 N ATOM 351 CA SER A 38 0.892 -10.082 4.727 1.00 0.00 C ATOM 352 C SER A 38 1.002 -11.512 5.245 1.00 0.00 C ATOM 353 O SER A 38 1.777 -12.314 4.723 1.00 0.00 O ATOM 354 CB SER A 38 0.939 -10.067 3.197 1.00 0.00 C ATOM 355 OG SER A 38 2.121 -9.447 2.726 1.00 0.00 O ATOM 0 H SER A 38 2.588 -8.854 4.581 1.00 0.00 H new ATOM 0 HA SER A 38 -0.064 -9.671 5.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.886 -11.088 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.069 -9.538 2.809 1.00 0.00 H new ATOM 0 HG SER A 38 2.035 -9.265 1.767 1.00 0.00 H new ATOM 361 N GLY A 39 0.228 -11.822 6.280 1.00 0.00 N ATOM 362 CA GLY A 39 0.258 -13.153 6.859 1.00 0.00 C ATOM 363 C GLY A 39 -0.618 -14.148 6.118 1.00 0.00 C ATOM 364 O GLY A 39 -0.754 -15.295 6.542 1.00 0.00 O ATOM 0 H GLY A 39 -0.420 -11.175 6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.285 -13.517 6.864 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.066 -13.097 7.898 1.00 0.00 H new ATOM 368 N TRP A 40 -1.214 -13.716 5.008 1.00 0.00 N ATOM 369 CA TRP A 40 -2.075 -14.593 4.221 1.00 0.00 C ATOM 370 C TRP A 40 -1.253 -15.426 3.242 1.00 0.00 C ATOM 371 O TRP A 40 -0.023 -15.370 3.246 1.00 0.00 O ATOM 372 CB TRP A 40 -3.126 -13.777 3.465 1.00 0.00 C ATOM 373 CG TRP A 40 -2.548 -12.698 2.600 1.00 0.00 C ATOM 374 CD1 TRP A 40 -1.236 -12.527 2.258 1.00 0.00 C ATOM 375 CD2 TRP A 40 -3.268 -11.637 1.965 1.00 0.00 C ATOM 376 NE1 TRP A 40 -1.100 -11.423 1.450 1.00 0.00 N ATOM 377 CE2 TRP A 40 -2.333 -10.860 1.257 1.00 0.00 C ATOM 378 CE3 TRP A 40 -4.616 -11.269 1.928 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -2.703 -9.737 0.520 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -4.982 -10.154 1.197 1.00 0.00 C ATOM 381 CH2 TRP A 40 -4.029 -9.401 0.501 1.00 0.00 C ATOM 0 H TRP A 40 -1.117 -12.771 4.636 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.584 -15.270 4.907 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -3.717 -14.450 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.809 -13.326 4.185 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -0.425 -13.165 2.576 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -0.223 -11.079 1.058 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.358 -11.845 2.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.970 -9.153 -0.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.020 -9.859 1.162 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -4.347 -8.537 -0.063 1.00 0.00 H new ATOM 392 N GLY A 41 -1.938 -16.201 2.409 1.00 0.00 N ATOM 393 CA GLY A 41 -1.250 -17.038 1.441 1.00 0.00 C ATOM 394 C GLY A 41 -1.732 -16.811 0.022 1.00 0.00 C ATOM 395 O GLY A 41 -1.751 -17.737 -0.789 1.00 0.00 O ATOM 0 H GLY A 41 -2.956 -16.265 2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.179 -16.840 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.394 -18.086 1.706 1.00 0.00 H new ATOM 399 N SER A 42 -2.122 -15.577 -0.282 1.00 0.00 N ATOM 400 CA SER A 42 -2.603 -15.237 -1.617 1.00 0.00 C ATOM 401 C SER A 42 -1.446 -14.847 -2.522 1.00 0.00 C ATOM 402 O SER A 42 -1.407 -15.207 -3.697 1.00 0.00 O ATOM 403 CB SER A 42 -3.624 -14.100 -1.544 1.00 0.00 C ATOM 404 OG SER A 42 -4.947 -14.594 -1.670 1.00 0.00 O ATOM 0 H SER A 42 -2.115 -14.798 0.376 1.00 0.00 H new ATOM 0 HA SER A 42 -3.089 -16.117 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.518 -13.572 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.425 -13.377 -2.335 1.00 0.00 H new ATOM 0 HG SER A 42 -5.581 -13.848 -1.618 1.00 0.00 H new ATOM 410 N ILE A 43 -0.506 -14.111 -1.955 1.00 0.00 N ATOM 411 CA ILE A 43 0.672 -13.662 -2.691 1.00 0.00 C ATOM 412 C ILE A 43 1.903 -13.665 -1.791 1.00 0.00 C ATOM 413 O ILE A 43 1.808 -13.941 -0.596 1.00 0.00 O ATOM 414 CB ILE A 43 0.488 -12.244 -3.286 1.00 0.00 C ATOM 415 CG1 ILE A 43 -0.985 -11.818 -3.264 1.00 0.00 C ATOM 416 CG2 ILE A 43 1.030 -12.195 -4.707 1.00 0.00 C ATOM 417 CD1 ILE A 43 -1.462 -11.364 -1.903 1.00 0.00 C ATOM 0 H ILE A 43 -0.533 -13.808 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 43 0.809 -14.364 -3.514 1.00 0.00 H new ATOM 0 HB ILE A 43 1.049 -11.544 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.132 -11.009 -3.980 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.601 -12.653 -3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.895 -11.193 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.091 -12.444 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.493 -12.914 -5.326 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.512 -11.078 -1.962 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.348 -12.178 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.871 -10.508 -1.577 1.00 0.00 H new ATOM 429 N LEU A 44 3.059 -13.360 -2.372 1.00 0.00 N ATOM 430 CA LEU A 44 4.307 -13.328 -1.616 1.00 0.00 C ATOM 431 C LEU A 44 4.220 -12.330 -0.461 1.00 0.00 C ATOM 432 O LEU A 44 4.176 -11.120 -0.682 1.00 0.00 O ATOM 433 CB LEU A 44 5.475 -12.961 -2.535 1.00 0.00 C ATOM 434 CG LEU A 44 5.186 -11.845 -3.542 1.00 0.00 C ATOM 435 CD1 LEU A 44 6.348 -10.866 -3.605 1.00 0.00 C ATOM 436 CD2 LEU A 44 4.904 -12.428 -4.919 1.00 0.00 C ATOM 0 H LEU A 44 3.158 -13.132 -3.361 1.00 0.00 H new ATOM 0 HA LEU A 44 4.477 -14.322 -1.202 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.322 -12.661 -1.918 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.780 -13.853 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 44 4.300 -11.304 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.123 -10.080 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.504 -10.422 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.251 -11.393 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.701 -11.620 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.771 -12.995 -5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.038 -13.088 -4.864 1.00 0.00 H new ATOM 448 N PRO A 45 4.193 -12.823 0.792 1.00 0.00 N ATOM 449 CA PRO A 45 4.109 -11.962 1.977 1.00 0.00 C ATOM 450 C PRO A 45 5.121 -10.822 1.945 1.00 0.00 C ATOM 451 O PRO A 45 6.311 -11.042 1.715 1.00 0.00 O ATOM 452 CB PRO A 45 4.418 -12.918 3.129 1.00 0.00 C ATOM 453 CG PRO A 45 3.982 -14.254 2.637 1.00 0.00 C ATOM 454 CD PRO A 45 4.239 -14.255 1.154 1.00 0.00 C ATOM 0 HA PRO A 45 3.138 -11.473 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.480 -12.913 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.881 -12.634 4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.538 -15.052 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.926 -14.423 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.206 -14.698 0.915 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.484 -14.829 0.617 1.00 0.00 H new ATOM 462 N THR A 46 4.643 -9.603 2.177 1.00 0.00 N ATOM 463 CA THR A 46 5.510 -8.431 2.175 1.00 0.00 C ATOM 464 C THR A 46 4.906 -7.295 3.001 1.00 0.00 C ATOM 465 O THR A 46 5.453 -6.915 4.037 1.00 0.00 O ATOM 466 CB THR A 46 5.779 -7.958 0.742 1.00 0.00 C ATOM 467 OG1 THR A 46 6.199 -6.605 0.728 1.00 0.00 O ATOM 468 CG2 THR A 46 4.578 -8.072 -0.175 1.00 0.00 C ATOM 0 H THR A 46 3.661 -9.402 2.368 1.00 0.00 H new ATOM 0 HA THR A 46 6.457 -8.719 2.632 1.00 0.00 H new ATOM 0 HB THR A 46 6.560 -8.622 0.370 1.00 0.00 H new ATOM 0 HG1 THR A 46 6.835 -6.452 1.458 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.846 -7.719 -1.171 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.262 -9.113 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.762 -7.466 0.218 1.00 0.00 H new ATOM 476 N VAL A 47 3.782 -6.751 2.540 1.00 0.00 N ATOM 477 CA VAL A 47 3.123 -5.655 3.244 1.00 0.00 C ATOM 478 C VAL A 47 1.661 -5.517 2.832 1.00 0.00 C ATOM 479 O VAL A 47 1.286 -5.854 1.707 1.00 0.00 O ATOM 480 CB VAL A 47 3.841 -4.315 2.995 1.00 0.00 C ATOM 481 CG1 VAL A 47 4.949 -4.111 4.015 1.00 0.00 C ATOM 482 CG2 VAL A 47 4.393 -4.252 1.580 1.00 0.00 C ATOM 0 H VAL A 47 3.311 -7.050 1.686 1.00 0.00 H new ATOM 0 HA VAL A 47 3.171 -5.898 4.305 1.00 0.00 H new ATOM 0 HB VAL A 47 3.115 -3.510 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.447 -3.160 3.826 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.523 -4.105 5.018 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.673 -4.922 3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.895 -3.297 1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.104 -5.064 1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.575 -4.350 0.866 1.00 0.00 H new ATOM 492 N ILE A 48 0.841 -5.009 3.748 1.00 0.00 N ATOM 493 CA ILE A 48 -0.583 -4.812 3.486 1.00 0.00 C ATOM 494 C ILE A 48 -1.060 -3.484 4.053 1.00 0.00 C ATOM 495 O ILE A 48 -1.078 -3.310 5.267 1.00 0.00 O ATOM 496 CB ILE A 48 -1.477 -5.910 4.113 1.00 0.00 C ATOM 497 CG1 ILE A 48 -0.694 -7.174 4.477 1.00 0.00 C ATOM 498 CG2 ILE A 48 -2.622 -6.247 3.182 1.00 0.00 C ATOM 499 CD1 ILE A 48 -0.958 -7.626 5.899 1.00 0.00 C ATOM 0 H ILE A 48 1.139 -4.725 4.681 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.678 -4.845 2.401 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.873 -5.506 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.962 -7.975 3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.372 -6.987 4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.243 -7.020 3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.223 -5.355 3.007 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.225 -6.609 2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.380 -8.526 6.108 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.665 -6.837 6.592 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.020 -7.841 6.021 1.00 0.00 H new ATOM 511 N ILE A 49 -1.483 -2.571 3.181 1.00 0.00 N ATOM 512 CA ILE A 49 -2.002 -1.282 3.628 1.00 0.00 C ATOM 513 C ILE A 49 -3.225 -1.507 4.509 1.00 0.00 C ATOM 514 O ILE A 49 -4.357 -1.240 4.104 1.00 0.00 O ATOM 515 CB ILE A 49 -2.396 -0.388 2.438 1.00 0.00 C ATOM 516 CG1 ILE A 49 -1.193 -0.151 1.526 1.00 0.00 C ATOM 517 CG2 ILE A 49 -2.968 0.938 2.925 1.00 0.00 C ATOM 518 CD1 ILE A 49 -1.579 0.228 0.113 1.00 0.00 C ATOM 0 H ILE A 49 -1.477 -2.699 2.169 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.215 -0.778 4.189 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.168 -0.902 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.574 0.639 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.583 -1.054 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.240 1.554 2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.853 0.751 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.221 1.459 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.678 0.382 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.173 -0.572 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.164 1.148 0.130 1.00 0.00 H new ATOM 530 N ALA A 50 -2.987 -2.020 5.710 1.00 0.00 N ATOM 531 CA ALA A 50 -4.061 -2.306 6.646 1.00 0.00 C ATOM 532 C ALA A 50 -4.951 -1.083 6.843 1.00 0.00 C ATOM 533 O ALA A 50 -6.133 -1.207 7.168 1.00 0.00 O ATOM 534 CB ALA A 50 -3.482 -2.776 7.971 1.00 0.00 C ATOM 0 H ALA A 50 -2.055 -2.246 6.057 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.681 -3.103 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.293 -2.988 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.895 -3.680 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.843 -1.997 8.386 1.00 0.00 H new ATOM 540 N ASN A 51 -4.373 0.094 6.633 1.00 0.00 N ATOM 541 CA ASN A 51 -5.101 1.346 6.772 1.00 0.00 C ATOM 542 C ASN A 51 -4.203 2.524 6.410 1.00 0.00 C ATOM 543 O ASN A 51 -2.999 2.502 6.664 1.00 0.00 O ATOM 544 CB ASN A 51 -5.642 1.501 8.196 1.00 0.00 C ATOM 545 CG ASN A 51 -4.542 1.657 9.226 1.00 0.00 C ATOM 546 OD1 ASN A 51 -3.972 2.852 9.301 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -4.209 0.716 9.947 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.395 0.206 6.364 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.947 1.331 6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.299 2.370 8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.248 0.630 8.447 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.675 -0.187 9.855 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.467 0.839 10.636 1.00 0.00 H new ATOM 554 N MET A 52 -4.795 3.543 5.807 1.00 0.00 N ATOM 555 CA MET A 52 -4.054 4.728 5.396 1.00 0.00 C ATOM 556 C MET A 52 -4.542 5.964 6.147 1.00 0.00 C ATOM 557 O MET A 52 -5.323 5.860 7.093 1.00 0.00 O ATOM 558 CB MET A 52 -4.187 4.926 3.884 1.00 0.00 C ATOM 559 CG MET A 52 -5.441 5.684 3.465 1.00 0.00 C ATOM 560 SD MET A 52 -5.712 5.651 1.684 1.00 0.00 S ATOM 561 CE MET A 52 -5.440 3.918 1.337 1.00 0.00 C ATOM 0 H MET A 52 -5.791 3.574 5.590 1.00 0.00 H new ATOM 0 HA MET A 52 -3.002 4.584 5.642 1.00 0.00 H new ATOM 0 HB2 MET A 52 -3.311 5.464 3.520 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.186 3.950 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.306 5.252 3.968 1.00 0.00 H new ATOM 0 HG3 MET A 52 -5.363 6.719 3.797 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.181 3.571 0.617 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.440 3.782 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.533 3.343 2.259 1.00 0.00 H new ATOM 571 N MET A 53 -4.078 7.132 5.719 1.00 0.00 N ATOM 572 CA MET A 53 -4.469 8.386 6.351 1.00 0.00 C ATOM 573 C MET A 53 -5.649 9.019 5.622 1.00 0.00 C ATOM 574 O MET A 53 -5.596 9.247 4.414 1.00 0.00 O ATOM 575 CB MET A 53 -3.289 9.358 6.377 1.00 0.00 C ATOM 576 CG MET A 53 -3.235 10.215 7.631 1.00 0.00 C ATOM 577 SD MET A 53 -2.794 9.266 9.100 1.00 0.00 S ATOM 578 CE MET A 53 -1.272 8.494 8.560 1.00 0.00 C ATOM 0 H MET A 53 -3.431 7.237 4.937 1.00 0.00 H new ATOM 0 HA MET A 53 -4.773 8.168 7.375 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.361 8.792 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.346 10.009 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.509 11.016 7.489 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.205 10.688 7.786 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.613 8.351 9.416 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.495 7.527 8.108 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.780 9.133 7.826 1.00 0.00 H new ATOM 588 N HIS A 54 -6.714 9.303 6.365 1.00 0.00 N ATOM 589 CA HIS A 54 -7.908 9.913 5.790 1.00 0.00 C ATOM 590 C HIS A 54 -7.600 11.306 5.256 1.00 0.00 C ATOM 591 O HIS A 54 -7.859 12.309 5.921 1.00 0.00 O ATOM 592 CB HIS A 54 -9.022 9.988 6.836 1.00 0.00 C ATOM 593 CG HIS A 54 -10.384 9.717 6.280 1.00 0.00 C ATOM 594 ND1 HIS A 54 -10.940 8.456 6.227 1.00 0.00 N ATOM 595 CD2 HIS A 54 -11.308 10.555 5.749 1.00 0.00 C ATOM 596 CE1 HIS A 54 -12.144 8.529 5.688 1.00 0.00 C ATOM 597 NE2 HIS A 54 -12.391 9.790 5.390 1.00 0.00 N ATOM 0 H HIS A 54 -6.775 9.120 7.367 1.00 0.00 H new ATOM 0 HA HIS A 54 -8.242 9.291 4.960 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.813 9.270 7.629 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.015 10.978 7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -11.211 11.624 5.630 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -12.812 7.698 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.248 10.141 4.962 1.00 0.00 H new ATOM 606 N GLY A 55 -7.039 11.361 4.051 1.00 0.00 N ATOM 607 CA GLY A 55 -6.698 12.636 3.449 1.00 0.00 C ATOM 608 C GLY A 55 -5.199 12.846 3.344 1.00 0.00 C ATOM 609 O GLY A 55 -4.733 13.979 3.218 1.00 0.00 O ATOM 0 H GLY A 55 -6.815 10.545 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.140 12.695 2.455 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.134 13.441 4.040 1.00 0.00 H new ATOM 613 N GLY A 56 -4.444 11.754 3.396 1.00 0.00 N ATOM 614 CA GLY A 56 -2.999 11.845 3.303 1.00 0.00 C ATOM 615 C GLY A 56 -2.487 11.532 1.909 1.00 0.00 C ATOM 616 O GLY A 56 -3.266 11.163 1.030 1.00 0.00 O ATOM 0 H GLY A 56 -4.807 10.807 3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.682 12.849 3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.548 11.155 4.016 1.00 0.00 H new ATOM 620 N PRO A 57 -1.172 11.672 1.675 1.00 0.00 N ATOM 621 CA PRO A 57 -0.567 11.401 0.367 1.00 0.00 C ATOM 622 C PRO A 57 -1.023 10.074 -0.232 1.00 0.00 C ATOM 623 O PRO A 57 -1.375 10.005 -1.409 1.00 0.00 O ATOM 624 CB PRO A 57 0.929 11.369 0.678 1.00 0.00 C ATOM 625 CG PRO A 57 1.085 12.271 1.849 1.00 0.00 C ATOM 626 CD PRO A 57 -0.170 12.112 2.666 1.00 0.00 C ATOM 0 HA PRO A 57 -0.850 12.147 -0.376 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.265 10.358 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.518 11.715 -0.171 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.966 12.004 2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.215 13.305 1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.041 11.377 3.461 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.461 13.048 3.142 1.00 0.00 H new ATOM 634 N ALA A 58 -1.019 9.020 0.582 1.00 0.00 N ATOM 635 CA ALA A 58 -1.434 7.705 0.120 1.00 0.00 C ATOM 636 C ALA A 58 -2.864 7.744 -0.405 1.00 0.00 C ATOM 637 O ALA A 58 -3.150 7.248 -1.495 1.00 0.00 O ATOM 638 CB ALA A 58 -1.305 6.680 1.237 1.00 0.00 C ATOM 0 H ALA A 58 -0.733 9.055 1.561 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.777 7.409 -0.698 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.620 5.702 0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.267 6.628 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.936 6.975 2.076 1.00 0.00 H new ATOM 644 N GLU A 59 -3.756 8.345 0.374 1.00 0.00 N ATOM 645 CA GLU A 59 -5.151 8.459 -0.015 1.00 0.00 C ATOM 646 C GLU A 59 -5.306 9.442 -1.167 1.00 0.00 C ATOM 647 O GLU A 59 -6.159 9.276 -2.039 1.00 0.00 O ATOM 648 CB GLU A 59 -5.996 8.913 1.175 1.00 0.00 C ATOM 649 CG GLU A 59 -7.485 8.890 0.896 1.00 0.00 C ATOM 650 CD GLU A 59 -8.319 9.095 2.146 1.00 0.00 C ATOM 651 OE1 GLU A 59 -8.516 8.115 2.896 1.00 0.00 O ATOM 652 OE2 GLU A 59 -8.775 10.235 2.376 1.00 0.00 O ATOM 0 H GLU A 59 -3.535 8.760 1.279 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.498 7.479 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.783 8.270 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.702 9.924 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.727 9.668 0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.750 7.936 0.440 1.00 0.00 H new ATOM 659 N LYS A 60 -4.470 10.467 -1.150 1.00 0.00 N ATOM 660 CA LYS A 60 -4.486 11.499 -2.176 1.00 0.00 C ATOM 661 C LYS A 60 -4.256 10.900 -3.560 1.00 0.00 C ATOM 662 O LYS A 60 -4.996 11.187 -4.501 1.00 0.00 O ATOM 663 CB LYS A 60 -3.418 12.555 -1.884 1.00 0.00 C ATOM 664 CG LYS A 60 -3.934 13.736 -1.077 1.00 0.00 C ATOM 665 CD LYS A 60 -3.806 15.039 -1.847 1.00 0.00 C ATOM 666 CE LYS A 60 -2.408 15.625 -1.721 1.00 0.00 C ATOM 667 NZ LYS A 60 -2.269 16.896 -2.483 1.00 0.00 N ATOM 0 H LYS A 60 -3.763 10.608 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.469 11.970 -2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.595 12.088 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.012 12.920 -2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.979 13.569 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.378 13.809 -0.142 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.036 14.866 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.537 15.756 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.183 15.805 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.677 14.902 -2.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.302 17.263 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.459 16.719 -3.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.949 17.594 -2.120 1.00 0.00 H new ATOM 681 N SER A 61 -3.228 10.064 -3.675 1.00 0.00 N ATOM 682 CA SER A 61 -2.900 9.419 -4.941 1.00 0.00 C ATOM 683 C SER A 61 -4.130 8.757 -5.551 1.00 0.00 C ATOM 684 O SER A 61 -4.337 8.802 -6.763 1.00 0.00 O ATOM 685 CB SER A 61 -1.799 8.380 -4.734 1.00 0.00 C ATOM 686 OG SER A 61 -2.274 7.274 -3.984 1.00 0.00 O ATOM 0 H SER A 61 -2.607 9.817 -2.904 1.00 0.00 H new ATOM 0 HA SER A 61 -2.545 10.186 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.432 8.037 -5.701 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.955 8.838 -4.218 1.00 0.00 H new ATOM 0 HG SER A 61 -2.787 7.597 -3.214 1.00 0.00 H new ATOM 692 N GLY A 62 -4.940 8.138 -4.700 1.00 0.00 N ATOM 693 CA GLY A 62 -6.139 7.468 -5.169 1.00 0.00 C ATOM 694 C GLY A 62 -5.845 6.117 -5.796 1.00 0.00 C ATOM 695 O GLY A 62 -6.753 5.442 -6.280 1.00 0.00 O ATOM 0 H GLY A 62 -4.788 8.088 -3.693 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.827 7.335 -4.334 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.643 8.101 -5.899 1.00 0.00 H new ATOM 699 N LYS A 63 -4.574 5.721 -5.785 1.00 0.00 N ATOM 700 CA LYS A 63 -4.168 4.443 -6.356 1.00 0.00 C ATOM 701 C LYS A 63 -4.060 3.379 -5.273 1.00 0.00 C ATOM 702 O LYS A 63 -4.387 2.214 -5.497 1.00 0.00 O ATOM 703 CB LYS A 63 -2.823 4.577 -7.075 1.00 0.00 C ATOM 704 CG LYS A 63 -2.615 5.921 -7.757 1.00 0.00 C ATOM 705 CD LYS A 63 -3.438 6.035 -9.031 1.00 0.00 C ATOM 706 CE LYS A 63 -4.503 7.111 -8.912 1.00 0.00 C ATOM 707 NZ LYS A 63 -5.435 7.103 -10.073 1.00 0.00 N ATOM 0 H LYS A 63 -3.810 6.267 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.930 4.142 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.021 4.419 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.742 3.786 -7.821 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.890 6.724 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.559 6.051 -7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.781 6.263 -9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.910 5.077 -9.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.068 6.962 -7.992 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.025 8.088 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.146 7.852 -9.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.900 7.271 -10.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.911 6.180 -10.130 1.00 0.00 H new ATOM 721 N LEU A 64 -3.586 3.784 -4.101 1.00 0.00 N ATOM 722 CA LEU A 64 -3.423 2.861 -2.987 1.00 0.00 C ATOM 723 C LEU A 64 -4.664 2.828 -2.104 1.00 0.00 C ATOM 724 O LEU A 64 -4.976 3.796 -1.411 1.00 0.00 O ATOM 725 CB LEU A 64 -2.203 3.246 -2.148 1.00 0.00 C ATOM 726 CG LEU A 64 -0.871 2.677 -2.641 1.00 0.00 C ATOM 727 CD1 LEU A 64 0.255 3.038 -1.685 1.00 0.00 C ATOM 728 CD2 LEU A 64 -0.962 1.166 -2.815 1.00 0.00 C ATOM 0 H LEU A 64 -3.308 4.744 -3.899 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.274 1.865 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.128 4.333 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.366 2.912 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.651 3.121 -3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.193 2.624 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.340 4.122 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.041 2.627 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.004 0.782 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.210 0.704 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.737 0.930 -3.544 1.00 0.00 H new ATOM 740 N ASN A 65 -5.359 1.697 -2.127 1.00 0.00 N ATOM 741 CA ASN A 65 -6.560 1.517 -1.322 1.00 0.00 C ATOM 742 C ASN A 65 -6.300 0.515 -0.202 1.00 0.00 C ATOM 743 O ASN A 65 -5.607 -0.482 -0.405 1.00 0.00 O ATOM 744 CB ASN A 65 -7.720 1.037 -2.196 1.00 0.00 C ATOM 745 CG ASN A 65 -7.371 -0.206 -2.990 1.00 0.00 C ATOM 746 OD1 ASN A 65 -6.660 -0.022 -4.096 1.00 0.00 O flip ATOM 747 ND2 ASN A 65 -7.736 -1.320 -2.612 1.00 0.00 N flip ATOM 0 H ASN A 65 -5.110 0.888 -2.697 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.828 2.477 -0.881 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.585 0.831 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.008 1.834 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.281 -1.414 -1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.493 -2.148 -3.156 1.00 0.00 H new ATOM 754 N ILE A 66 -6.853 0.787 0.977 1.00 0.00 N ATOM 755 CA ILE A 66 -6.677 -0.092 2.131 1.00 0.00 C ATOM 756 C ILE A 66 -6.809 -1.562 1.733 1.00 0.00 C ATOM 757 O ILE A 66 -7.829 -1.981 1.185 1.00 0.00 O ATOM 758 CB ILE A 66 -7.685 0.248 3.243 1.00 0.00 C ATOM 759 CG1 ILE A 66 -7.268 1.555 3.915 1.00 0.00 C ATOM 760 CG2 ILE A 66 -7.778 -0.882 4.265 1.00 0.00 C ATOM 761 CD1 ILE A 66 -8.064 1.883 5.153 1.00 0.00 C ATOM 0 H ILE A 66 -7.428 1.610 1.159 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.670 0.071 2.514 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.674 0.369 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.212 1.497 4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.374 2.371 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.497 -0.614 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.103 -1.796 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.800 -1.044 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.711 2.824 5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.119 1.975 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.939 1.087 5.887 1.00 0.00 H new ATOM 773 N GLY A 67 -5.760 -2.332 1.998 1.00 0.00 N ATOM 774 CA GLY A 67 -5.759 -3.740 1.649 1.00 0.00 C ATOM 775 C GLY A 67 -4.902 -4.025 0.429 1.00 0.00 C ATOM 776 O GLY A 67 -4.817 -5.166 -0.027 1.00 0.00 O ATOM 0 H GLY A 67 -4.907 -2.004 2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.391 -4.322 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.781 -4.066 1.458 1.00 0.00 H new ATOM 780 N ASP A 68 -4.266 -2.983 -0.101 1.00 0.00 N ATOM 781 CA ASP A 68 -3.409 -3.114 -1.272 1.00 0.00 C ATOM 782 C ASP A 68 -2.119 -3.845 -0.919 1.00 0.00 C ATOM 783 O ASP A 68 -1.455 -3.509 0.063 1.00 0.00 O ATOM 784 CB ASP A 68 -3.106 -1.737 -1.850 1.00 0.00 C ATOM 785 CG ASP A 68 -4.019 -1.387 -3.010 1.00 0.00 C ATOM 786 OD1 ASP A 68 -4.685 -2.298 -3.541 1.00 0.00 O ATOM 787 OD2 ASP A 68 -4.065 -0.198 -3.388 1.00 0.00 O ATOM 0 H ASP A 68 -4.330 -2.034 0.266 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.933 -3.703 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.212 -0.986 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.069 -1.706 -2.184 1.00 0.00 H new ATOM 792 N GLN A 69 -1.770 -4.851 -1.717 1.00 0.00 N ATOM 793 CA GLN A 69 -0.561 -5.625 -1.473 1.00 0.00 C ATOM 794 C GLN A 69 0.642 -4.960 -2.128 1.00 0.00 C ATOM 795 O GLN A 69 1.095 -5.379 -3.194 1.00 0.00 O ATOM 796 CB GLN A 69 -0.728 -7.052 -1.997 1.00 0.00 C ATOM 797 CG GLN A 69 -0.008 -8.096 -1.159 1.00 0.00 C ATOM 798 CD GLN A 69 1.456 -8.235 -1.526 1.00 0.00 C ATOM 799 OE1 GLN A 69 2.102 -7.268 -1.926 1.00 0.00 O ATOM 800 NE2 GLN A 69 1.986 -9.445 -1.393 1.00 0.00 N ATOM 0 H GLN A 69 -2.305 -5.146 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.390 -5.665 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.790 -7.295 -2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.356 -7.100 -3.020 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.090 -7.829 -0.105 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.502 -9.059 -1.284 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.413 -10.219 -1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.967 -9.601 -1.626 1.00 0.00 H new ATOM 809 N ILE A 70 1.153 -3.917 -1.485 1.00 0.00 N ATOM 810 CA ILE A 70 2.302 -3.181 -2.002 1.00 0.00 C ATOM 811 C ILE A 70 3.487 -4.112 -2.245 1.00 0.00 C ATOM 812 O ILE A 70 3.692 -5.077 -1.508 1.00 0.00 O ATOM 813 CB ILE A 70 2.727 -2.053 -1.040 1.00 0.00 C ATOM 814 CG1 ILE A 70 1.488 -1.312 -0.508 1.00 0.00 C ATOM 815 CG2 ILE A 70 3.685 -1.095 -1.739 1.00 0.00 C ATOM 816 CD1 ILE A 70 1.775 0.098 -0.029 1.00 0.00 C ATOM 0 H ILE A 70 0.789 -3.560 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 70 1.996 -2.738 -2.950 1.00 0.00 H new ATOM 0 HB ILE A 70 3.250 -2.490 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.735 -1.272 -1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.059 -1.885 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.977 -0.304 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.572 -1.639 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.192 -0.656 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.853 0.555 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.504 0.066 0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.174 0.688 -0.854 1.00 0.00 H new ATOM 828 N MET A 71 4.257 -3.828 -3.293 1.00 0.00 N ATOM 829 CA MET A 71 5.410 -4.655 -3.638 1.00 0.00 C ATOM 830 C MET A 71 6.730 -3.924 -3.402 1.00 0.00 C ATOM 831 O MET A 71 7.690 -4.515 -2.910 1.00 0.00 O ATOM 832 CB MET A 71 5.320 -5.101 -5.099 1.00 0.00 C ATOM 833 CG MET A 71 4.490 -6.357 -5.298 1.00 0.00 C ATOM 834 SD MET A 71 5.317 -7.840 -4.696 1.00 0.00 S ATOM 835 CE MET A 71 4.193 -8.344 -3.395 1.00 0.00 C ATOM 0 H MET A 71 4.104 -3.035 -3.916 1.00 0.00 H new ATOM 0 HA MET A 71 5.392 -5.528 -2.985 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.890 -4.293 -5.692 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.326 -5.276 -5.480 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.537 -6.243 -4.782 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.267 -6.476 -6.358 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.670 -9.104 -2.776 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.939 -7.481 -2.779 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.285 -8.754 -3.837 1.00 0.00 H new ATOM 845 N SER A 72 6.785 -2.645 -3.765 1.00 0.00 N ATOM 846 CA SER A 72 8.009 -1.868 -3.590 1.00 0.00 C ATOM 847 C SER A 72 7.723 -0.372 -3.614 1.00 0.00 C ATOM 848 O SER A 72 6.683 0.062 -4.108 1.00 0.00 O ATOM 849 CB SER A 72 9.017 -2.220 -4.687 1.00 0.00 C ATOM 850 OG SER A 72 8.622 -1.678 -5.936 1.00 0.00 O ATOM 0 H SER A 72 6.007 -2.130 -4.177 1.00 0.00 H new ATOM 0 HA SER A 72 8.429 -2.119 -2.616 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.002 -1.838 -4.417 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.106 -3.303 -4.769 1.00 0.00 H new ATOM 0 HG SER A 72 9.283 -1.915 -6.619 1.00 0.00 H new ATOM 856 N ILE A 73 8.654 0.412 -3.075 1.00 0.00 N ATOM 857 CA ILE A 73 8.502 1.861 -3.031 1.00 0.00 C ATOM 858 C ILE A 73 9.635 2.567 -3.775 1.00 0.00 C ATOM 859 O ILE A 73 10.800 2.480 -3.385 1.00 0.00 O ATOM 860 CB ILE A 73 8.436 2.367 -1.582 1.00 0.00 C ATOM 861 CG1 ILE A 73 7.322 1.634 -0.835 1.00 0.00 C ATOM 862 CG2 ILE A 73 8.205 3.872 -1.547 1.00 0.00 C ATOM 863 CD1 ILE A 73 7.637 1.382 0.616 1.00 0.00 C ATOM 0 H ILE A 73 9.521 0.066 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 73 7.562 2.098 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 73 9.388 2.163 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.404 2.218 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.131 0.681 -1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 73 8.162 4.209 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.023 4.378 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.264 4.107 -2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.803 0.859 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.537 0.772 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.799 2.333 1.124 1.00 0.00 H new ATOM 875 N ASN A 74 9.275 3.260 -4.854 1.00 0.00 N ATOM 876 CA ASN A 74 10.239 3.991 -5.681 1.00 0.00 C ATOM 877 C ASN A 74 11.504 3.174 -5.936 1.00 0.00 C ATOM 878 O ASN A 74 12.598 3.729 -6.051 1.00 0.00 O ATOM 879 CB ASN A 74 10.604 5.328 -5.039 1.00 0.00 C ATOM 880 CG ASN A 74 11.053 5.179 -3.604 1.00 0.00 C ATOM 881 OD1 ASN A 74 10.180 5.544 -2.678 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 12.169 4.739 -3.330 1.00 0.00 N flip ATOM 0 H ASN A 74 8.311 3.332 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 74 9.758 4.177 -6.641 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.398 5.800 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.742 5.994 -5.079 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.809 4.470 -4.077 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.454 4.643 -2.355 1.00 0.00 H new ATOM 889 N GLY A 75 11.351 1.857 -6.031 1.00 0.00 N ATOM 890 CA GLY A 75 12.492 0.996 -6.283 1.00 0.00 C ATOM 891 C GLY A 75 12.950 0.236 -5.050 1.00 0.00 C ATOM 892 O GLY A 75 14.008 -0.391 -5.062 1.00 0.00 O ATOM 0 H GLY A 75 10.459 1.371 -5.938 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.236 0.283 -7.067 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.319 1.599 -6.658 1.00 0.00 H new ATOM 896 N THR A 76 12.154 0.288 -3.987 1.00 0.00 N ATOM 897 CA THR A 76 12.492 -0.407 -2.751 1.00 0.00 C ATOM 898 C THR A 76 11.577 -1.609 -2.541 1.00 0.00 C ATOM 899 O THR A 76 10.471 -1.476 -2.020 1.00 0.00 O ATOM 900 CB THR A 76 12.382 0.545 -1.565 1.00 0.00 C ATOM 901 OG1 THR A 76 12.905 1.820 -1.894 1.00 0.00 O ATOM 902 CG2 THR A 76 13.106 0.055 -0.332 1.00 0.00 C ATOM 0 H THR A 76 11.274 0.802 -3.957 1.00 0.00 H new ATOM 0 HA THR A 76 13.519 -0.763 -2.828 1.00 0.00 H new ATOM 0 HB THR A 76 11.317 0.601 -1.340 1.00 0.00 H new ATOM 0 HG1 THR A 76 12.281 2.286 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 76 12.986 0.780 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 76 12.689 -0.903 -0.022 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.166 -0.066 -0.556 1.00 0.00 H new ATOM 910 N SER A 77 12.048 -2.781 -2.956 1.00 0.00 N ATOM 911 CA SER A 77 11.272 -4.008 -2.818 1.00 0.00 C ATOM 912 C SER A 77 10.921 -4.275 -1.359 1.00 0.00 C ATOM 913 O SER A 77 11.786 -4.232 -0.484 1.00 0.00 O ATOM 914 CB SER A 77 12.049 -5.196 -3.392 1.00 0.00 C ATOM 915 OG SER A 77 11.167 -6.180 -3.906 1.00 0.00 O ATOM 0 H SER A 77 12.962 -2.907 -3.390 1.00 0.00 H new ATOM 0 HA SER A 77 10.345 -3.882 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.715 -4.851 -4.183 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.676 -5.634 -2.615 1.00 0.00 H new ATOM 0 HG SER A 77 11.687 -6.928 -4.268 1.00 0.00 H new ATOM 921 N LEU A 78 9.647 -4.554 -1.105 1.00 0.00 N ATOM 922 CA LEU A 78 9.180 -4.833 0.248 1.00 0.00 C ATOM 923 C LEU A 78 9.039 -6.334 0.486 1.00 0.00 C ATOM 924 O LEU A 78 8.549 -6.762 1.530 1.00 0.00 O ATOM 925 CB LEU A 78 7.840 -4.138 0.499 1.00 0.00 C ATOM 926 CG LEU A 78 7.928 -2.626 0.709 1.00 0.00 C ATOM 927 CD1 LEU A 78 6.565 -2.061 1.079 1.00 0.00 C ATOM 928 CD2 LEU A 78 8.954 -2.296 1.782 1.00 0.00 C ATOM 0 H LEU A 78 8.919 -4.593 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 78 9.923 -4.445 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.181 -4.335 -0.347 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.374 -4.586 1.377 1.00 0.00 H new ATOM 0 HG LEU A 78 8.249 -2.165 -0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.645 -0.984 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.856 -2.267 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.216 -2.527 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.003 -1.216 1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.663 -2.767 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.932 -2.668 1.477 1.00 0.00 H new ATOM 940 N VAL A 79 9.475 -7.133 -0.487 1.00 0.00 N ATOM 941 CA VAL A 79 9.398 -8.583 -0.375 1.00 0.00 C ATOM 942 C VAL A 79 10.678 -9.150 0.223 1.00 0.00 C ATOM 943 O VAL A 79 11.779 -8.845 -0.239 1.00 0.00 O ATOM 944 CB VAL A 79 9.152 -9.242 -1.744 1.00 0.00 C ATOM 945 CG1 VAL A 79 8.741 -10.696 -1.572 1.00 0.00 C ATOM 946 CG2 VAL A 79 8.099 -8.472 -2.530 1.00 0.00 C ATOM 0 H VAL A 79 9.884 -6.798 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 79 8.557 -8.806 0.282 1.00 0.00 H new ATOM 0 HB VAL A 79 10.084 -9.216 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 79 8.572 -11.144 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.533 -11.239 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.824 -10.748 -0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.940 -8.954 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 79 7.163 -8.461 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 79 8.439 -7.448 -2.688 1.00 0.00 H new ATOM 956 N GLY A 80 10.532 -9.975 1.253 1.00 0.00 N ATOM 957 CA GLY A 80 11.689 -10.567 1.896 1.00 0.00 C ATOM 958 C GLY A 80 12.113 -9.808 3.138 1.00 0.00 C ATOM 959 O GLY A 80 12.751 -10.372 4.029 1.00 0.00 O ATOM 0 H GLY A 80 9.634 -10.244 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.464 -11.599 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.519 -10.595 1.190 1.00 0.00 H new ATOM 963 N LEU A 81 11.757 -8.528 3.202 1.00 0.00 N ATOM 964 CA LEU A 81 12.107 -7.700 4.352 1.00 0.00 C ATOM 965 C LEU A 81 10.970 -7.675 5.371 1.00 0.00 C ATOM 966 O LEU A 81 9.795 -7.681 5.003 1.00 0.00 O ATOM 967 CB LEU A 81 12.449 -6.271 3.913 1.00 0.00 C ATOM 968 CG LEU A 81 11.639 -5.728 2.734 1.00 0.00 C ATOM 969 CD1 LEU A 81 11.530 -4.213 2.817 1.00 0.00 C ATOM 970 CD2 LEU A 81 12.276 -6.147 1.416 1.00 0.00 C ATOM 0 H LEU A 81 11.229 -8.044 2.476 1.00 0.00 H new ATOM 0 HA LEU A 81 12.987 -8.140 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.308 -5.605 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.506 -6.234 3.651 1.00 0.00 H new ATOM 0 HG LEU A 81 10.634 -6.148 2.780 1.00 0.00 H new ATOM 0 HD11 LEU A 81 10.951 -3.843 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.033 -3.934 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.528 -3.775 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.689 -5.753 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.291 -5.753 1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.305 -7.235 1.356 1.00 0.00 H new ATOM 982 N PRO A 82 11.305 -7.648 6.674 1.00 0.00 N ATOM 983 CA PRO A 82 10.305 -7.625 7.748 1.00 0.00 C ATOM 984 C PRO A 82 9.512 -6.324 7.776 1.00 0.00 C ATOM 985 O PRO A 82 9.751 -5.421 6.975 1.00 0.00 O ATOM 986 CB PRO A 82 11.141 -7.769 9.022 1.00 0.00 C ATOM 987 CG PRO A 82 12.494 -7.273 8.648 1.00 0.00 C ATOM 988 CD PRO A 82 12.682 -7.640 7.203 1.00 0.00 C ATOM 0 HA PRO A 82 9.559 -8.410 7.623 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.718 -7.186 9.840 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.178 -8.806 9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.568 -6.195 8.790 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.263 -7.730 9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.309 -6.916 6.682 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.161 -8.613 7.094 1.00 0.00 H new ATOM 996 N LEU A 83 8.565 -6.236 8.706 1.00 0.00 N ATOM 997 CA LEU A 83 7.736 -5.046 8.843 1.00 0.00 C ATOM 998 C LEU A 83 8.566 -3.853 9.304 1.00 0.00 C ATOM 999 O LEU A 83 8.315 -2.717 8.906 1.00 0.00 O ATOM 1000 CB LEU A 83 6.598 -5.302 9.832 1.00 0.00 C ATOM 1001 CG LEU A 83 5.709 -4.093 10.125 1.00 0.00 C ATOM 1002 CD1 LEU A 83 4.716 -3.876 8.994 1.00 0.00 C ATOM 1003 CD2 LEU A 83 4.982 -4.273 11.449 1.00 0.00 C ATOM 0 H LEU A 83 8.354 -6.976 9.376 1.00 0.00 H new ATOM 0 HA LEU A 83 7.314 -4.815 7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.974 -6.107 9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.026 -5.655 10.770 1.00 0.00 H new ATOM 0 HG LEU A 83 6.343 -3.209 10.200 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.091 -3.012 9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.257 -3.701 8.064 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.087 -4.760 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.354 -3.403 11.641 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.359 -5.167 11.404 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.711 -4.379 12.253 1.00 0.00 H new ATOM 1015 N SER A 84 9.558 -4.119 10.150 1.00 0.00 N ATOM 1016 CA SER A 84 10.427 -3.066 10.666 1.00 0.00 C ATOM 1017 C SER A 84 11.038 -2.257 9.527 1.00 0.00 C ATOM 1018 O SER A 84 11.141 -1.033 9.605 1.00 0.00 O ATOM 1019 CB SER A 84 11.535 -3.668 11.532 1.00 0.00 C ATOM 1020 OG SER A 84 10.999 -4.521 12.529 1.00 0.00 O ATOM 0 H SER A 84 9.780 -5.054 10.492 1.00 0.00 H new ATOM 0 HA SER A 84 9.821 -2.397 11.277 1.00 0.00 H new ATOM 0 HB2 SER A 84 12.227 -4.228 10.904 1.00 0.00 H new ATOM 0 HB3 SER A 84 12.107 -2.869 12.003 1.00 0.00 H new ATOM 0 HG SER A 84 11.728 -4.894 13.067 1.00 0.00 H new ATOM 1026 N THR A 85 11.437 -2.951 8.467 1.00 0.00 N ATOM 1027 CA THR A 85 12.034 -2.301 7.309 1.00 0.00 C ATOM 1028 C THR A 85 10.986 -1.523 6.521 1.00 0.00 C ATOM 1029 O THR A 85 11.189 -0.358 6.185 1.00 0.00 O ATOM 1030 CB THR A 85 12.702 -3.333 6.407 1.00 0.00 C ATOM 1031 OG1 THR A 85 13.386 -4.307 7.176 1.00 0.00 O ATOM 1032 CG2 THR A 85 13.698 -2.729 5.440 1.00 0.00 C ATOM 0 H THR A 85 11.357 -3.965 8.387 1.00 0.00 H new ATOM 0 HA THR A 85 12.788 -1.600 7.667 1.00 0.00 H new ATOM 0 HB THR A 85 11.890 -3.782 5.834 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.052 -4.758 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.136 -3.518 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 85 13.190 -2.011 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.486 -2.223 5.998 1.00 0.00 H new ATOM 1040 N CYS A 86 9.863 -2.174 6.236 1.00 0.00 N ATOM 1041 CA CYS A 86 8.778 -1.545 5.485 1.00 0.00 C ATOM 1042 C CYS A 86 8.309 -0.272 6.177 1.00 0.00 C ATOM 1043 O CYS A 86 8.191 0.779 5.547 1.00 0.00 O ATOM 1044 CB CYS A 86 7.611 -2.519 5.324 1.00 0.00 C ATOM 1045 SG CYS A 86 8.105 -4.193 4.845 1.00 0.00 S ATOM 0 H CYS A 86 9.679 -3.138 6.513 1.00 0.00 H new ATOM 0 HA CYS A 86 9.155 -1.280 4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 86 7.061 -2.569 6.264 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.925 -2.126 4.574 1.00 0.00 H new ATOM 0 HG CYS A 86 8.793 -4.734 5.806 1.00 0.00 H new ATOM 1051 N GLN A 87 8.056 -0.362 7.479 1.00 0.00 N ATOM 1052 CA GLN A 87 7.618 0.796 8.246 1.00 0.00 C ATOM 1053 C GLN A 87 8.651 1.911 8.157 1.00 0.00 C ATOM 1054 O GLN A 87 8.312 3.070 7.914 1.00 0.00 O ATOM 1055 CB GLN A 87 7.386 0.413 9.709 1.00 0.00 C ATOM 1056 CG GLN A 87 6.384 -0.715 9.894 1.00 0.00 C ATOM 1057 CD GLN A 87 4.951 -0.226 9.897 1.00 0.00 C ATOM 1058 OE1 GLN A 87 4.293 -0.202 10.937 1.00 0.00 O ATOM 1059 NE2 GLN A 87 4.458 0.166 8.729 1.00 0.00 N ATOM 0 H GLN A 87 8.147 -1.221 8.022 1.00 0.00 H new ATOM 0 HA GLN A 87 6.678 1.152 7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.337 0.119 10.154 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.037 1.290 10.254 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.513 -1.445 9.095 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.591 -1.229 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.039 0.129 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.498 0.504 8.668 1.00 0.00 H new ATOM 1068 N SER A 88 9.913 1.550 8.350 1.00 0.00 N ATOM 1069 CA SER A 88 11.002 2.512 8.291 1.00 0.00 C ATOM 1070 C SER A 88 11.052 3.196 6.928 1.00 0.00 C ATOM 1071 O SER A 88 11.362 4.383 6.833 1.00 0.00 O ATOM 1072 CB SER A 88 12.338 1.827 8.585 1.00 0.00 C ATOM 1073 OG SER A 88 13.414 2.742 8.482 1.00 0.00 O ATOM 0 H SER A 88 10.207 0.594 8.549 1.00 0.00 H new ATOM 0 HA SER A 88 10.821 3.272 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.317 1.397 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 88 12.489 1.003 7.887 1.00 0.00 H new ATOM 0 HG SER A 88 14.256 2.280 8.676 1.00 0.00 H new ATOM 1079 N ILE A 89 10.730 2.448 5.874 1.00 0.00 N ATOM 1080 CA ILE A 89 10.725 2.997 4.532 1.00 0.00 C ATOM 1081 C ILE A 89 9.687 4.102 4.442 1.00 0.00 C ATOM 1082 O ILE A 89 9.953 5.182 3.919 1.00 0.00 O ATOM 1083 CB ILE A 89 10.430 1.902 3.482 1.00 0.00 C ATOM 1084 CG1 ILE A 89 11.604 0.919 3.410 1.00 0.00 C ATOM 1085 CG2 ILE A 89 10.161 2.520 2.117 1.00 0.00 C ATOM 1086 CD1 ILE A 89 11.550 -0.027 2.227 1.00 0.00 C ATOM 0 H ILE A 89 10.471 1.463 5.930 1.00 0.00 H new ATOM 0 HA ILE A 89 11.713 3.405 4.320 1.00 0.00 H new ATOM 0 HB ILE A 89 9.535 1.359 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.535 1.485 3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.630 0.333 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 89 9.956 1.730 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.300 3.185 2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.034 3.088 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 89 12.416 -0.688 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A 89 10.638 -0.622 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 11.557 0.548 1.301 1.00 0.00 H new ATOM 1098 N ILE A 90 8.506 3.829 4.986 1.00 0.00 N ATOM 1099 CA ILE A 90 7.432 4.806 4.997 1.00 0.00 C ATOM 1100 C ILE A 90 7.863 6.044 5.770 1.00 0.00 C ATOM 1101 O ILE A 90 7.507 7.169 5.420 1.00 0.00 O ATOM 1102 CB ILE A 90 6.159 4.229 5.632 1.00 0.00 C ATOM 1103 CG1 ILE A 90 5.829 2.880 4.988 1.00 0.00 C ATOM 1104 CG2 ILE A 90 5.007 5.217 5.487 1.00 0.00 C ATOM 1105 CD1 ILE A 90 4.381 2.458 5.121 1.00 0.00 C ATOM 0 H ILE A 90 8.272 2.938 5.424 1.00 0.00 H new ATOM 0 HA ILE A 90 7.213 5.072 3.963 1.00 0.00 H new ATOM 0 HB ILE A 90 6.322 4.065 6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.085 2.925 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.460 2.113 5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.109 4.798 5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 90 5.264 6.151 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.824 5.409 4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.238 1.492 4.637 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.121 2.377 6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.740 3.201 4.646 1.00 0.00 H new ATOM 1117 N LYS A 91 8.648 5.820 6.822 1.00 0.00 N ATOM 1118 CA LYS A 91 9.151 6.908 7.648 1.00 0.00 C ATOM 1119 C LYS A 91 10.045 7.821 6.820 1.00 0.00 C ATOM 1120 O LYS A 91 9.880 9.040 6.820 1.00 0.00 O ATOM 1121 CB LYS A 91 9.931 6.356 8.844 1.00 0.00 C ATOM 1122 CG LYS A 91 9.136 6.354 10.138 1.00 0.00 C ATOM 1123 CD LYS A 91 7.870 5.526 10.007 1.00 0.00 C ATOM 1124 CE LYS A 91 8.100 4.089 10.441 1.00 0.00 C ATOM 1125 NZ LYS A 91 7.893 3.910 11.905 1.00 0.00 N ATOM 0 H LYS A 91 8.948 4.892 7.120 1.00 0.00 H new ATOM 0 HA LYS A 91 8.303 7.482 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.249 5.338 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.835 6.949 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.751 5.956 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.877 7.377 10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.080 5.969 10.613 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.527 5.545 8.973 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.422 3.432 9.896 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.114 3.789 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.060 2.916 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.557 4.517 12.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.917 4.172 12.152 1.00 0.00 H new ATOM 1139 N GLY A 92 10.987 7.213 6.102 1.00 0.00 N ATOM 1140 CA GLY A 92 11.890 7.974 5.262 1.00 0.00 C ATOM 1141 C GLY A 92 11.177 8.602 4.080 1.00 0.00 C ATOM 1142 O GLY A 92 11.740 9.446 3.382 1.00 0.00 O ATOM 0 H GLY A 92 11.139 6.204 6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 92 12.365 8.755 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 92 12.685 7.321 4.900 1.00 0.00 H new ATOM 1146 N LEU A 93 9.928 8.193 3.857 1.00 0.00 N ATOM 1147 CA LEU A 93 9.129 8.722 2.759 1.00 0.00 C ATOM 1148 C LEU A 93 8.404 10.001 3.178 1.00 0.00 C ATOM 1149 O LEU A 93 7.433 10.409 2.540 1.00 0.00 O ATOM 1150 CB LEU A 93 8.106 7.678 2.307 1.00 0.00 C ATOM 1151 CG LEU A 93 8.673 6.534 1.467 1.00 0.00 C ATOM 1152 CD1 LEU A 93 7.585 5.525 1.142 1.00 0.00 C ATOM 1153 CD2 LEU A 93 9.300 7.076 0.192 1.00 0.00 C ATOM 0 H LEU A 93 9.449 7.495 4.426 1.00 0.00 H new ATOM 0 HA LEU A 93 9.800 8.958 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 93 7.626 7.256 3.190 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.328 8.180 1.731 1.00 0.00 H new ATOM 0 HG LEU A 93 9.447 6.028 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.005 4.717 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.179 5.117 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 93 6.789 6.016 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 93 9.700 6.250 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.544 7.603 -0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 93 10.106 7.764 0.447 1.00 0.00 H new ATOM 1165 N LYS A 94 8.871 10.621 4.257 1.00 0.00 N ATOM 1166 CA LYS A 94 8.270 11.834 4.766 1.00 0.00 C ATOM 1167 C LYS A 94 8.770 13.061 4.019 1.00 0.00 C ATOM 1168 O LYS A 94 8.034 14.031 3.841 1.00 0.00 O ATOM 1169 CB LYS A 94 8.572 11.975 6.257 1.00 0.00 C ATOM 1170 CG LYS A 94 7.691 12.993 6.959 1.00 0.00 C ATOM 1171 CD LYS A 94 8.499 13.906 7.869 1.00 0.00 C ATOM 1172 CE LYS A 94 8.047 13.798 9.315 1.00 0.00 C ATOM 1173 NZ LYS A 94 7.268 14.992 9.745 1.00 0.00 N ATOM 0 H LYS A 94 9.673 10.293 4.796 1.00 0.00 H new ATOM 0 HA LYS A 94 7.193 11.765 4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.447 11.005 6.738 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.616 12.262 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.165 13.593 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.932 12.475 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.556 13.649 7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.399 14.938 7.532 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.437 12.903 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.918 13.682 9.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.471 14.690 10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.884 15.631 10.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 6.904 15.489 8.907 1.00 0.00 H new ATOM 1187 N ASN A 95 10.028 13.030 3.592 1.00 0.00 N ATOM 1188 CA ASN A 95 10.607 14.161 2.882 1.00 0.00 C ATOM 1189 C ASN A 95 11.071 13.780 1.476 1.00 0.00 C ATOM 1190 O ASN A 95 12.257 13.874 1.155 1.00 0.00 O ATOM 1191 CB ASN A 95 11.775 14.743 3.683 1.00 0.00 C ATOM 1192 CG ASN A 95 11.360 15.924 4.536 1.00 0.00 C ATOM 1193 OD1 ASN A 95 11.193 17.038 4.038 1.00 0.00 O ATOM 1194 ND2 ASN A 95 11.192 15.689 5.833 1.00 0.00 N ATOM 0 H ASN A 95 10.660 12.241 3.724 1.00 0.00 H new ATOM 0 HA ASN A 95 9.827 14.915 2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 95 12.196 13.967 4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 95 12.563 15.053 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.914 16.447 6.457 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.341 14.751 6.205 1.00 0.00 H new ATOM 1201 N GLN A 96 10.130 13.364 0.638 1.00 0.00 N ATOM 1202 CA GLN A 96 10.438 12.986 -0.738 1.00 0.00 C ATOM 1203 C GLN A 96 9.590 13.793 -1.711 1.00 0.00 C ATOM 1204 O GLN A 96 10.066 14.226 -2.761 1.00 0.00 O ATOM 1205 CB GLN A 96 10.194 11.492 -0.971 1.00 0.00 C ATOM 1206 CG GLN A 96 10.369 10.627 0.265 1.00 0.00 C ATOM 1207 CD GLN A 96 11.799 10.162 0.458 1.00 0.00 C ATOM 1208 OE1 GLN A 96 12.062 8.967 0.591 1.00 0.00 O ATOM 1209 NE2 GLN A 96 12.733 11.106 0.479 1.00 0.00 N ATOM 0 H GLN A 96 9.144 13.279 0.887 1.00 0.00 H new ATOM 0 HA GLN A 96 11.493 13.198 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.182 11.357 -1.354 1.00 0.00 H new ATOM 0 HB3 GLN A 96 10.877 11.141 -1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.053 11.189 1.144 1.00 0.00 H new ATOM 0 HG3 GLN A 96 9.716 9.758 0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.471 12.085 0.365 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.712 10.852 0.609 1.00 0.00 H new ATOM 1218 N SER A 97 8.322 13.987 -1.349 1.00 0.00 N ATOM 1219 CA SER A 97 7.380 14.740 -2.174 1.00 0.00 C ATOM 1220 C SER A 97 6.836 13.891 -3.325 1.00 0.00 C ATOM 1221 O SER A 97 5.995 14.353 -4.095 1.00 0.00 O ATOM 1222 CB SER A 97 8.033 16.011 -2.725 1.00 0.00 C ATOM 1223 OG SER A 97 9.046 16.484 -1.853 1.00 0.00 O ATOM 0 H SER A 97 7.922 13.629 -0.482 1.00 0.00 H new ATOM 0 HA SER A 97 6.543 15.021 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.460 15.808 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.276 16.783 -2.860 1.00 0.00 H new ATOM 0 HG SER A 97 9.911 16.114 -2.126 1.00 0.00 H new ATOM 1229 N ARG A 98 7.311 12.652 -3.434 1.00 0.00 N ATOM 1230 CA ARG A 98 6.861 11.751 -4.491 1.00 0.00 C ATOM 1231 C ARG A 98 7.182 10.304 -4.128 1.00 0.00 C ATOM 1232 O ARG A 98 8.230 10.022 -3.547 1.00 0.00 O ATOM 1233 CB ARG A 98 7.524 12.117 -5.822 1.00 0.00 C ATOM 1234 CG ARG A 98 6.618 12.883 -6.773 1.00 0.00 C ATOM 1235 CD ARG A 98 7.405 13.871 -7.618 1.00 0.00 C ATOM 1236 NE ARG A 98 7.602 15.146 -6.931 1.00 0.00 N ATOM 1237 CZ ARG A 98 7.965 16.271 -7.544 1.00 0.00 C ATOM 1238 NH1 ARG A 98 8.173 16.283 -8.855 1.00 0.00 N ATOM 1239 NH2 ARG A 98 8.122 17.386 -6.844 1.00 0.00 N ATOM 0 H ARG A 98 8.006 12.250 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 98 5.781 11.856 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.412 12.716 -5.621 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.859 11.203 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 98 6.096 12.182 -7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 98 5.857 13.416 -6.202 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.375 13.441 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.880 14.043 -8.558 1.00 0.00 H new ATOM 0 HE ARG A 98 7.453 15.176 -5.922 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.055 15.428 -9.398 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.451 17.148 -9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.965 17.382 -5.836 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.400 18.248 -7.313 1.00 0.00 H new ATOM 1253 N VAL A 99 6.276 9.388 -4.463 1.00 0.00 N ATOM 1254 CA VAL A 99 6.480 7.976 -4.156 1.00 0.00 C ATOM 1255 C VAL A 99 5.997 7.075 -5.285 1.00 0.00 C ATOM 1256 O VAL A 99 4.798 6.842 -5.438 1.00 0.00 O ATOM 1257 CB VAL A 99 5.768 7.572 -2.852 1.00 0.00 C ATOM 1258 CG1 VAL A 99 6.323 6.253 -2.334 1.00 0.00 C ATOM 1259 CG2 VAL A 99 5.907 8.666 -1.801 1.00 0.00 C ATOM 0 H VAL A 99 5.401 9.596 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 99 7.555 7.843 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 99 4.707 7.440 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.810 5.980 -1.412 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.167 5.474 -3.080 1.00 0.00 H new ATOM 0 HG13 VAL A 99 7.390 6.359 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.397 8.360 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.963 8.834 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.461 9.588 -2.174 1.00 0.00 H new ATOM 1269 N LYS A 100 6.944 6.550 -6.057 1.00 0.00 N ATOM 1270 CA LYS A 100 6.627 5.648 -7.158 1.00 0.00 C ATOM 1271 C LYS A 100 6.680 4.212 -6.664 1.00 0.00 C ATOM 1272 O LYS A 100 7.624 3.475 -6.953 1.00 0.00 O ATOM 1273 CB LYS A 100 7.611 5.837 -8.316 1.00 0.00 C ATOM 1274 CG LYS A 100 8.023 7.282 -8.544 1.00 0.00 C ATOM 1275 CD LYS A 100 7.963 7.653 -10.016 1.00 0.00 C ATOM 1276 CE LYS A 100 6.547 7.556 -10.556 1.00 0.00 C ATOM 1277 NZ LYS A 100 6.425 8.157 -11.912 1.00 0.00 N ATOM 0 H LYS A 100 7.940 6.735 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 100 5.625 5.875 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 100 8.503 5.241 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.161 5.449 -9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 100 7.369 7.942 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.035 7.436 -8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 100 8.337 8.668 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.617 6.993 -10.586 1.00 0.00 H new ATOM 0 HE2 LYS A 100 6.245 6.509 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.863 8.060 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.859 7.531 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 5.959 9.084 -11.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.372 8.277 -12.325 1.00 0.00 H new ATOM 1291 N LEU A 101 5.670 3.829 -5.898 1.00 0.00 N ATOM 1292 CA LEU A 101 5.607 2.491 -5.335 1.00 0.00 C ATOM 1293 C LEU A 101 4.628 1.606 -6.100 1.00 0.00 C ATOM 1294 O LEU A 101 3.450 1.936 -6.247 1.00 0.00 O ATOM 1295 CB LEU A 101 5.241 2.560 -3.849 1.00 0.00 C ATOM 1296 CG LEU A 101 3.840 3.061 -3.543 1.00 0.00 C ATOM 1297 CD1 LEU A 101 3.446 2.699 -2.118 1.00 0.00 C ATOM 1298 CD2 LEU A 101 3.745 4.569 -3.755 1.00 0.00 C ATOM 0 H LEU A 101 4.882 4.428 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 101 6.593 2.037 -5.430 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.354 1.565 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.958 3.209 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 101 3.147 2.576 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.440 3.065 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.469 1.616 -1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.147 3.157 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.733 4.905 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.450 5.074 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.984 4.806 -4.792 1.00 0.00 H new ATOM 1310 N ASN A 102 5.135 0.478 -6.586 1.00 0.00 N ATOM 1311 CA ASN A 102 4.323 -0.470 -7.336 1.00 0.00 C ATOM 1312 C ASN A 102 3.661 -1.460 -6.387 1.00 0.00 C ATOM 1313 O ASN A 102 4.337 -2.140 -5.614 1.00 0.00 O ATOM 1314 CB ASN A 102 5.181 -1.214 -8.361 1.00 0.00 C ATOM 1315 CG ASN A 102 4.984 -0.690 -9.769 1.00 0.00 C ATOM 1316 OD1 ASN A 102 3.741 -0.704 -10.237 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 5.937 -0.275 -10.429 1.00 0.00 N flip ATOM 0 H ASN A 102 6.109 0.198 -6.472 1.00 0.00 H new ATOM 0 HA ASN A 102 3.547 0.081 -7.867 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.232 -1.122 -8.086 1.00 0.00 H new ATOM 0 HB3 ASN A 102 4.936 -2.276 -8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.876 -0.283 -10.030 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.788 0.076 -11.375 1.00 0.00 H new ATOM 1324 N ILE A 103 2.337 -1.528 -6.437 1.00 0.00 N ATOM 1325 CA ILE A 103 1.591 -2.427 -5.569 1.00 0.00 C ATOM 1326 C ILE A 103 0.823 -3.474 -6.368 1.00 0.00 C ATOM 1327 O ILE A 103 0.616 -3.324 -7.573 1.00 0.00 O ATOM 1328 CB ILE A 103 0.613 -1.643 -4.676 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -0.453 -0.949 -5.515 1.00 0.00 C ATOM 1330 CG2 ILE A 103 1.365 -0.621 -3.841 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -1.824 -1.031 -4.899 1.00 0.00 C ATOM 0 H ILE A 103 1.760 -0.972 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 103 2.320 -2.939 -4.941 1.00 0.00 H new ATOM 0 HB ILE A 103 0.120 -2.352 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -0.181 0.098 -5.647 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -0.478 -1.399 -6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.661 -0.074 -3.214 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.092 -1.131 -3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.883 0.077 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -2.542 -0.520 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -2.113 -2.077 -4.792 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -1.811 -0.556 -3.918 1.00 0.00 H new ATOM 1343 N VAL A 104 0.405 -4.539 -5.689 1.00 0.00 N ATOM 1344 CA VAL A 104 -0.337 -5.615 -6.334 1.00 0.00 C ATOM 1345 C VAL A 104 -1.808 -5.596 -5.931 1.00 0.00 C ATOM 1346 O VAL A 104 -2.140 -5.499 -4.745 1.00 0.00 O ATOM 1347 CB VAL A 104 0.260 -6.993 -5.988 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -0.454 -8.096 -6.756 1.00 0.00 C ATOM 1349 CG2 VAL A 104 1.752 -7.018 -6.278 1.00 0.00 C ATOM 0 H VAL A 104 0.568 -4.679 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.259 -5.449 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 104 0.115 -7.170 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.017 -9.061 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.512 -8.095 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.344 -7.923 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.155 -7.999 -6.027 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.920 -6.816 -7.336 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.252 -6.257 -5.679 1.00 0.00 H new ATOM 1359 N ARG A 105 -2.683 -5.693 -6.930 1.00 0.00 N ATOM 1360 CA ARG A 105 -4.121 -5.693 -6.687 1.00 0.00 C ATOM 1361 C ARG A 105 -4.840 -6.657 -7.632 1.00 0.00 C ATOM 1362 O ARG A 105 -5.189 -6.286 -8.750 1.00 0.00 O ATOM 1363 CB ARG A 105 -4.686 -4.279 -6.854 1.00 0.00 C ATOM 1364 CG ARG A 105 -5.564 -3.834 -5.695 1.00 0.00 C ATOM 1365 CD ARG A 105 -6.960 -4.433 -5.792 1.00 0.00 C ATOM 1366 NE ARG A 105 -7.478 -4.824 -4.483 1.00 0.00 N ATOM 1367 CZ ARG A 105 -8.754 -5.123 -4.251 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -9.644 -5.080 -5.237 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -9.142 -5.469 -3.033 1.00 0.00 N ATOM 0 H ARG A 105 -2.421 -5.772 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 105 -4.289 -6.028 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.859 -3.577 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.266 -4.235 -7.776 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -5.104 -4.132 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -5.633 -2.746 -5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.635 -3.708 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -6.937 -5.303 -6.448 1.00 0.00 H new ATOM 0 HE ARG A 105 -6.824 -4.871 -3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.351 -4.817 -6.178 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.620 -5.310 -5.053 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -8.463 -5.506 -2.273 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.120 -5.698 -2.855 1.00 0.00 H new TER 1383 ARG A 105