USER MOD reduce.3.24.130724 H: found=0, std=0, add=1354, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1353 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 104 GLN :FLIP amide:sc= -0.13 F(o=-1.4!,f=0.16) USER MOD Set 1.2: A 152 ASN :FLIP amide:sc= 0.286 F(o=-2.9,f=0.16) USER MOD Set 2.1: A 44 TYR OH : rot 30:sc= 0.39 USER MOD Set 2.2: A 93 THR OG1 : rot -111:sc= 0.722 USER MOD Set 2.3: A 115 ASN : amide:sc= 0.445 X(o=1.6,f=1.9) USER MOD Set 3.1: A 8 ASN :FLIP amide:sc= -0.291 F(o=-3.5!,f=-0.43) USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= -0.141 USER MOD Set 4.1: A 20 ASN : amide:sc= -0.546 K(o=-4.3,f=-5.2) USER MOD Set 4.2: A 23 GLN : amide:sc= -3.76! C(o=-4.3!,f=-11!) USER MOD Set 5.1: A 19 TYR OH : rot 30:sc= 0.549 USER MOD Set 5.2: A 133 SER OG : rot -32:sc= 1.47 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.789 (180deg=0.0701) USER MOD Single : A 3 LYS NZ :NH3+ -124:sc= 0.649 (180deg=-0.00727) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.261 F(o=-1.9!,f=-0.26) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0619 F(o=-1.2,f=-0.062) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.573 F(o=-2.6,f=-0.57) USER MOD Single : A 16 SER OG : rot 80:sc= 1.18 USER MOD Single : A 30 CYS SG : rot -27:sc= -3.44! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= -1.58! (180deg=-1.61!) USER MOD Single : A 47 SER OG : rot 7:sc= -3.48! USER MOD Single : A 50 SER OG : rot -179:sc= 0.0604 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.72! C(o=-1.7!,f=-11!) USER MOD Single : A 59 SER OG : rot 43:sc= 0.102 USER MOD Single : A 70 HIS :FLIP no HE2:sc= -0.4 F(o=-0.97,f=-0.4) USER MOD Single : A 71 MET CE :methyl 162:sc= -0.0288 (180deg=-0.26) USER MOD Single : A 75 GLN : amide:sc= -1.67 X(o=-1.7,f=-2.1!) USER MOD Single : A 80 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.7!) USER MOD Single : A 98 THR OG1 : rot 140:sc= 0.885 USER MOD Single : A 99 CYS SG : rot -73:sc= -1.47! USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 101 TYR OH : rot 180:sc= 1.2 USER MOD Single : A 111 TYR OH : rot 16:sc= -1.5 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN :FLIP amide:sc= -2.86! C(o=-5.2!,f=-2.9!) USER MOD Single : A 117 TYR OH : rot -59:sc= -3.28! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN :FLIP amide:sc= -3.07! C(o=-4.4!,f=-3.1!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.1) USER MOD Single : A 136 GLN :FLIP amide:sc= -0.0452 F(o=-0.61,f=-0.045) USER MOD Single : A 138 ASN :FLIP amide:sc= -0.913 F(o=-4.6!,f=-0.91) USER MOD Single : A 142 SER OG : rot 180:sc= 0.0462 USER MOD Single : A 143 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.81) USER MOD Single : A 147 THR OG1 : rot -160:sc= 0.942 USER MOD Single : A 150 HIS :FLIP no HD1:sc= -0.192 F(o=-1.4,f=-0.19) USER MOD Single : A 156 ASN : amide:sc= -0.427! X(o=-0.43!,f=-0.45) USER MOD Single : B 120 MET CE :methyl 161:sc= -0.162 (180deg=-0.707) USER MOD Single : B 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 125 GLN :FLIP amide:sc= -1.45 F(o=-2.8!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.299 -2.041 -6.947 1.00 0.00 N ATOM 2 CA MET A 1 -23.476 -3.188 -6.502 1.00 0.00 C ATOM 3 C MET A 1 -22.499 -2.766 -5.413 1.00 0.00 C ATOM 4 O MET A 1 -22.630 -3.166 -4.257 1.00 0.00 O ATOM 5 CB MET A 1 -22.716 -3.789 -7.678 1.00 0.00 C ATOM 6 CG MET A 1 -21.876 -4.990 -7.284 1.00 0.00 C ATOM 7 SD MET A 1 -22.801 -6.200 -6.318 1.00 0.00 S ATOM 8 CE MET A 1 -21.534 -7.424 -5.987 1.00 0.00 C ATOM 0 H1 MET A 1 -25.294 -2.335 -7.019 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.216 -1.266 -6.258 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.966 -1.715 -7.877 1.00 0.00 H new ATOM 0 HA MET A 1 -24.147 -3.943 -6.092 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.426 -4.086 -8.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.070 -3.027 -8.115 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.489 -5.469 -8.184 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.015 -4.652 -6.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.958 -8.236 -5.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.156 -7.820 -6.929 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.717 -6.961 -5.434 1.00 0.00 H new ATOM 18 N ALA A 2 -21.530 -1.941 -5.777 1.00 0.00 N ATOM 19 CA ALA A 2 -20.524 -1.491 -4.834 1.00 0.00 C ATOM 20 C ALA A 2 -20.904 -0.130 -4.275 1.00 0.00 C ATOM 21 O ALA A 2 -21.458 0.708 -4.980 1.00 0.00 O ATOM 22 CB ALA A 2 -19.159 -1.438 -5.500 1.00 0.00 C ATOM 0 H ALA A 2 -21.421 -1.570 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.472 -2.201 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.415 -1.098 -4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.890 -2.432 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.191 -0.746 -6.341 1.00 0.00 H new ATOM 28 N LYS A 3 -20.628 0.073 -2.997 1.00 0.00 N ATOM 29 CA LYS A 3 -20.978 1.313 -2.320 1.00 0.00 C ATOM 30 C LYS A 3 -19.838 2.322 -2.393 1.00 0.00 C ATOM 31 O LYS A 3 -20.037 3.506 -2.145 1.00 0.00 O ATOM 32 CB LYS A 3 -21.300 1.037 -0.860 1.00 0.00 C ATOM 33 CG LYS A 3 -22.782 0.911 -0.497 1.00 0.00 C ATOM 34 CD LYS A 3 -23.409 -0.441 -0.826 1.00 0.00 C ATOM 35 CE LYS A 3 -23.628 -0.655 -2.311 1.00 0.00 C ATOM 36 NZ LYS A 3 -24.574 -1.773 -2.573 1.00 0.00 N ATOM 0 H LYS A 3 -20.159 -0.611 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 3 -21.851 1.730 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.798 0.114 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.869 1.837 -0.259 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.897 1.099 0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.337 1.690 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.767 -1.234 -0.442 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -24.365 -0.526 -0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.015 0.261 -2.757 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.673 -0.866 -2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -24.119 -2.476 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -24.838 -2.222 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.427 -1.404 -3.039 1.00 0.00 H new ATOM 50 N VAL A 4 -18.640 1.846 -2.709 1.00 0.00 N ATOM 51 CA VAL A 4 -17.488 2.722 -2.876 1.00 0.00 C ATOM 52 C VAL A 4 -16.669 2.312 -4.080 1.00 0.00 C ATOM 53 O VAL A 4 -16.336 1.142 -4.265 1.00 0.00 O ATOM 54 CB VAL A 4 -16.562 2.758 -1.623 1.00 0.00 C ATOM 55 CG1 VAL A 4 -15.114 3.071 -1.998 1.00 0.00 C ATOM 56 CG2 VAL A 4 -17.046 3.790 -0.627 1.00 0.00 C ATOM 0 H VAL A 4 -18.441 0.856 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.894 3.723 -3.021 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.601 1.766 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.500 3.087 -1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -14.741 2.305 -2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -15.067 4.044 -2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.385 3.798 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.044 4.775 -1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -18.058 3.542 -0.309 1.00 0.00 H new ATOM 66 N GLN A 5 -16.383 3.295 -4.900 1.00 0.00 N ATOM 67 CA GLN A 5 -15.472 3.151 -6.005 1.00 0.00 C ATOM 68 C GLN A 5 -14.381 4.181 -5.837 1.00 0.00 C ATOM 69 O GLN A 5 -14.604 5.365 -6.080 1.00 0.00 O ATOM 70 CB GLN A 5 -16.214 3.366 -7.325 1.00 0.00 C ATOM 71 CG GLN A 5 -15.329 3.345 -8.547 1.00 0.00 C ATOM 72 CD GLN A 5 -14.750 1.977 -8.829 1.00 0.00 C ATOM 73 OE1 GLN A 5 -13.554 1.728 -8.323 1.00 0.00 O flip ATOM 74 NE2 GLN A 5 -15.359 1.161 -9.519 1.00 0.00 N flip ATOM 0 H GLN A 5 -16.783 4.229 -4.815 1.00 0.00 H new ATOM 0 HA GLN A 5 -15.043 2.149 -6.022 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -16.976 2.594 -7.430 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.734 4.323 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.904 3.676 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.516 4.058 -8.413 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.280 1.394 -9.890 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -14.943 0.252 -9.720 1.00 0.00 H new ATOM 83 N VAL A 6 -13.217 3.766 -5.361 1.00 0.00 N ATOM 84 CA VAL A 6 -12.137 4.717 -5.255 1.00 0.00 C ATOM 85 C VAL A 6 -11.553 4.903 -6.643 1.00 0.00 C ATOM 86 O VAL A 6 -11.324 3.941 -7.377 1.00 0.00 O ATOM 87 CB VAL A 6 -11.056 4.379 -4.177 1.00 0.00 C ATOM 88 CG1 VAL A 6 -11.644 3.624 -2.985 1.00 0.00 C ATOM 89 CG2 VAL A 6 -9.838 3.672 -4.738 1.00 0.00 C ATOM 0 H VAL A 6 -13.006 2.816 -5.055 1.00 0.00 H new ATOM 0 HA VAL A 6 -12.546 5.656 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 6 -10.702 5.344 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.855 3.412 -2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.414 4.234 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -12.083 2.687 -3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.132 3.470 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.143 2.732 -5.198 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.363 4.305 -5.487 1.00 0.00 H new ATOM 99 N ASN A 7 -11.375 6.150 -7.006 1.00 0.00 N ATOM 100 CA ASN A 7 -11.173 6.530 -8.399 1.00 0.00 C ATOM 101 C ASN A 7 -9.808 7.133 -8.580 1.00 0.00 C ATOM 102 O ASN A 7 -8.921 6.540 -9.191 1.00 0.00 O ATOM 103 CB ASN A 7 -12.207 7.571 -8.857 1.00 0.00 C ATOM 104 CG ASN A 7 -13.642 7.101 -8.767 1.00 0.00 C ATOM 105 OD1 ASN A 7 -14.341 7.557 -7.740 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.132 6.384 -9.635 1.00 0.00 N flip ATOM 0 H ASN A 7 -11.365 6.934 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 7 -11.280 5.623 -8.994 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.093 8.471 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.992 7.851 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.556 6.055 -10.410 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.115 6.117 -9.581 1.00 0.00 H new ATOM 113 N ASN A 8 -9.652 8.318 -8.022 1.00 0.00 N ATOM 114 CA ASN A 8 -8.415 9.047 -8.159 1.00 0.00 C ATOM 115 C ASN A 8 -7.538 8.730 -6.993 1.00 0.00 C ATOM 116 O ASN A 8 -8.015 8.345 -5.934 1.00 0.00 O ATOM 117 CB ASN A 8 -8.629 10.562 -8.248 1.00 0.00 C ATOM 118 CG ASN A 8 -7.315 11.279 -8.523 1.00 0.00 C ATOM 119 OD1 ASN A 8 -6.455 10.657 -9.332 1.00 0.00 O flip ATOM 120 ND2 ASN A 8 -7.083 12.383 -8.036 1.00 0.00 N flip ATOM 0 H ASN A 8 -10.368 8.792 -7.471 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.947 8.738 -9.093 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -9.344 10.787 -9.040 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.060 10.928 -7.316 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.768 12.824 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -6.205 12.859 -8.246 1.00 0.00 H new ATOM 127 N VAL A 9 -6.265 8.829 -7.206 1.00 0.00 N ATOM 128 CA VAL A 9 -5.333 8.632 -6.158 1.00 0.00 C ATOM 129 C VAL A 9 -4.129 9.539 -6.363 1.00 0.00 C ATOM 130 O VAL A 9 -3.328 9.371 -7.286 1.00 0.00 O ATOM 131 CB VAL A 9 -4.934 7.167 -6.090 1.00 0.00 C ATOM 132 CG1 VAL A 9 -4.365 6.744 -7.428 1.00 0.00 C ATOM 133 CG2 VAL A 9 -3.992 6.942 -4.926 1.00 0.00 C ATOM 0 H VAL A 9 -5.849 9.048 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.788 8.895 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.802 6.535 -5.902 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.077 5.694 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.118 6.882 -8.204 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.490 7.351 -7.660 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.711 5.890 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.098 7.552 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.488 7.222 -3.997 1.00 0.00 H new ATOM 143 N VAL A 10 -4.041 10.545 -5.543 1.00 0.00 N ATOM 144 CA VAL A 10 -2.906 11.430 -5.590 1.00 0.00 C ATOM 145 C VAL A 10 -1.854 10.938 -4.612 1.00 0.00 C ATOM 146 O VAL A 10 -1.891 11.251 -3.427 1.00 0.00 O ATOM 147 CB VAL A 10 -3.299 12.885 -5.269 1.00 0.00 C ATOM 148 CG1 VAL A 10 -2.099 13.800 -5.395 1.00 0.00 C ATOM 149 CG2 VAL A 10 -4.429 13.351 -6.173 1.00 0.00 C ATOM 0 H VAL A 10 -4.737 10.776 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.505 11.424 -6.603 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.653 12.924 -4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.396 14.823 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.324 13.481 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.712 13.755 -6.413 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.690 14.381 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.109 13.295 -7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.300 12.712 -6.026 1.00 0.00 H new ATOM 159 N VAL A 11 -0.944 10.130 -5.113 1.00 0.00 N ATOM 160 CA VAL A 11 0.117 9.587 -4.302 1.00 0.00 C ATOM 161 C VAL A 11 1.163 10.654 -4.067 1.00 0.00 C ATOM 162 O VAL A 11 1.755 11.192 -5.004 1.00 0.00 O ATOM 163 CB VAL A 11 0.767 8.369 -4.961 1.00 0.00 C ATOM 164 CG1 VAL A 11 1.212 7.379 -3.911 1.00 0.00 C ATOM 165 CG2 VAL A 11 -0.182 7.708 -5.943 1.00 0.00 C ATOM 0 H VAL A 11 -0.921 9.834 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.313 9.264 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 11 1.641 8.710 -5.515 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.673 6.518 -4.395 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.936 7.853 -3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.349 7.051 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.306 6.845 -6.396 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.080 7.382 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.455 8.421 -6.721 1.00 0.00 H new ATOM 175 N LEU A 12 1.368 10.945 -2.811 1.00 0.00 N ATOM 176 CA LEU A 12 2.143 12.093 -2.385 1.00 0.00 C ATOM 177 C LEU A 12 3.485 11.666 -1.882 1.00 0.00 C ATOM 178 O LEU A 12 4.506 12.326 -2.097 1.00 0.00 O ATOM 179 CB LEU A 12 1.409 12.711 -1.239 1.00 0.00 C ATOM 180 CG LEU A 12 -0.092 12.776 -1.438 1.00 0.00 C ATOM 181 CD1 LEU A 12 -0.757 12.847 -0.101 1.00 0.00 C ATOM 182 CD2 LEU A 12 -0.494 13.931 -2.336 1.00 0.00 C ATOM 0 H LEU A 12 0.999 10.388 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 12 2.276 12.779 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.622 12.142 -0.334 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.789 13.720 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.423 11.872 -1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.838 12.894 -0.234 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.501 11.961 0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.417 13.738 0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.578 13.941 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.168 14.870 -1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.025 13.813 -3.313 1.00 0.00 H new ATOM 194 N ASP A 13 3.435 10.567 -1.164 1.00 0.00 N ATOM 195 CA ASP A 13 4.590 9.928 -0.560 1.00 0.00 C ATOM 196 C ASP A 13 5.553 9.352 -1.604 1.00 0.00 C ATOM 197 O ASP A 13 6.198 8.326 -1.401 1.00 0.00 O ATOM 198 CB ASP A 13 4.093 8.841 0.360 1.00 0.00 C ATOM 199 CG ASP A 13 3.473 7.663 -0.383 1.00 0.00 C ATOM 200 OD1 ASP A 13 2.911 7.874 -1.470 1.00 0.00 O ATOM 201 OD2 ASP A 13 3.544 6.528 0.136 1.00 0.00 O ATOM 0 H ASP A 13 2.562 10.074 -0.976 1.00 0.00 H new ATOM 0 HA ASP A 13 5.156 10.676 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.922 8.482 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.354 9.261 1.043 1.00 0.00 H new ATOM 206 N ASN A 14 5.688 10.095 -2.669 1.00 0.00 N ATOM 207 CA ASN A 14 6.570 9.792 -3.791 1.00 0.00 C ATOM 208 C ASN A 14 8.008 10.155 -3.425 1.00 0.00 C ATOM 209 O ASN A 14 8.205 10.742 -2.360 1.00 0.00 O ATOM 210 CB ASN A 14 6.110 10.573 -5.011 1.00 0.00 C ATOM 211 CG ASN A 14 5.654 9.666 -6.119 1.00 0.00 C ATOM 212 OD1 ASN A 14 4.977 8.602 -5.750 1.00 0.00 O flip ATOM 213 ND2 ASN A 14 5.872 9.942 -7.299 1.00 0.00 N flip ATOM 0 H ASN A 14 5.171 10.965 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 14 6.532 8.727 -4.020 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.295 11.239 -4.729 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.926 11.201 -5.369 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.403 10.780 -7.537 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.522 9.333 -8.038 1.00 0.00 H new ATOM 220 N PRO A 15 9.038 9.860 -4.273 1.00 0.00 N ATOM 221 CA PRO A 15 10.400 9.641 -3.785 1.00 0.00 C ATOM 222 C PRO A 15 10.895 10.730 -2.859 1.00 0.00 C ATOM 223 O PRO A 15 11.250 11.843 -3.248 1.00 0.00 O ATOM 224 CB PRO A 15 11.267 9.601 -5.047 1.00 0.00 C ATOM 225 CG PRO A 15 10.372 9.974 -6.183 1.00 0.00 C ATOM 226 CD PRO A 15 8.966 9.705 -5.733 1.00 0.00 C ATOM 0 HA PRO A 15 10.441 8.726 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 15 12.103 10.296 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.691 8.608 -5.196 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.499 11.024 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.612 9.391 -7.072 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.261 10.408 -6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.639 8.704 -6.015 1.00 0.00 H new ATOM 234 N SER A 16 10.867 10.338 -1.606 1.00 0.00 N ATOM 235 CA SER A 16 11.304 11.131 -0.478 1.00 0.00 C ATOM 236 C SER A 16 11.894 10.161 0.537 1.00 0.00 C ATOM 237 O SER A 16 11.794 8.952 0.321 1.00 0.00 O ATOM 238 CB SER A 16 10.123 11.903 0.131 1.00 0.00 C ATOM 239 OG SER A 16 9.444 12.672 -0.850 1.00 0.00 O ATOM 0 H SER A 16 10.524 9.417 -1.332 1.00 0.00 H new ATOM 0 HA SER A 16 12.044 11.870 -0.784 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.427 11.202 0.591 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.485 12.559 0.923 1.00 0.00 H new ATOM 0 HG SER A 16 8.847 12.091 -1.366 1.00 0.00 H new ATOM 245 N PRO A 17 12.539 10.645 1.617 1.00 0.00 N ATOM 246 CA PRO A 17 13.077 9.781 2.676 1.00 0.00 C ATOM 247 C PRO A 17 12.164 8.598 2.981 1.00 0.00 C ATOM 248 O PRO A 17 10.942 8.716 2.940 1.00 0.00 O ATOM 249 CB PRO A 17 13.105 10.722 3.869 1.00 0.00 C ATOM 250 CG PRO A 17 13.410 12.054 3.280 1.00 0.00 C ATOM 251 CD PRO A 17 12.776 12.069 1.913 1.00 0.00 C ATOM 0 HA PRO A 17 14.038 9.343 2.408 1.00 0.00 H new ATOM 0 HB2 PRO A 17 12.149 10.728 4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.864 10.424 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.010 12.855 3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.486 12.211 3.211 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.846 12.638 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.432 12.527 1.173 1.00 0.00 H new ATOM 259 N PHE A 18 12.759 7.453 3.274 1.00 0.00 N ATOM 260 CA PHE A 18 11.990 6.275 3.609 1.00 0.00 C ATOM 261 C PHE A 18 11.139 6.522 4.844 1.00 0.00 C ATOM 262 O PHE A 18 10.045 5.982 4.963 1.00 0.00 O ATOM 263 CB PHE A 18 12.901 5.061 3.816 1.00 0.00 C ATOM 264 CG PHE A 18 12.274 3.986 4.655 1.00 0.00 C ATOM 265 CD1 PHE A 18 11.197 3.255 4.192 1.00 0.00 C ATOM 266 CD2 PHE A 18 12.744 3.742 5.929 1.00 0.00 C ATOM 267 CE1 PHE A 18 10.603 2.298 4.986 1.00 0.00 C ATOM 268 CE2 PHE A 18 12.158 2.798 6.736 1.00 0.00 C ATOM 269 CZ PHE A 18 11.076 2.066 6.266 1.00 0.00 C ATOM 0 H PHE A 18 13.770 7.319 3.286 1.00 0.00 H new ATOM 0 HA PHE A 18 11.327 6.059 2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 18 13.167 4.645 2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.828 5.387 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.817 3.435 3.197 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.589 4.304 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.767 1.728 4.609 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.537 2.626 7.732 1.00 0.00 H new ATOM 0 HZ PHE A 18 10.608 1.322 6.893 1.00 0.00 H new ATOM 279 N TYR A 19 11.624 7.363 5.745 1.00 0.00 N ATOM 280 CA TYR A 19 10.898 7.663 6.949 1.00 0.00 C ATOM 281 C TYR A 19 9.735 8.597 6.653 1.00 0.00 C ATOM 282 O TYR A 19 8.870 8.809 7.502 1.00 0.00 O ATOM 283 CB TYR A 19 11.842 8.252 7.984 1.00 0.00 C ATOM 284 CG TYR A 19 12.796 7.228 8.557 1.00 0.00 C ATOM 285 CD1 TYR A 19 12.366 5.936 8.840 1.00 0.00 C ATOM 286 CD2 TYR A 19 14.122 7.546 8.809 1.00 0.00 C ATOM 287 CE1 TYR A 19 13.232 4.990 9.355 1.00 0.00 C ATOM 288 CE2 TYR A 19 14.992 6.606 9.325 1.00 0.00 C ATOM 289 CZ TYR A 19 14.542 5.331 9.595 1.00 0.00 C ATOM 290 OH TYR A 19 15.408 4.392 10.104 1.00 0.00 O ATOM 0 H TYR A 19 12.518 7.845 5.656 1.00 0.00 H new ATOM 0 HA TYR A 19 10.479 6.743 7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.414 9.060 7.529 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.258 8.691 8.793 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.337 5.667 8.654 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.479 8.543 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.882 3.990 9.567 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.022 6.869 9.517 1.00 0.00 H new ATOM 0 HH TYR A 19 15.135 3.499 9.805 1.00 0.00 H new ATOM 300 N ASN A 20 9.723 9.150 5.440 1.00 0.00 N ATOM 301 CA ASN A 20 8.559 9.856 4.941 1.00 0.00 C ATOM 302 C ASN A 20 7.427 8.864 4.719 1.00 0.00 C ATOM 303 O ASN A 20 7.530 7.923 3.924 1.00 0.00 O ATOM 304 CB ASN A 20 8.879 10.651 3.667 1.00 0.00 C ATOM 305 CG ASN A 20 7.708 10.768 2.706 1.00 0.00 C ATOM 306 OD1 ASN A 20 6.891 11.681 2.812 1.00 0.00 O ATOM 307 ND2 ASN A 20 7.642 9.861 1.741 1.00 0.00 N ATOM 0 H ASN A 20 10.509 9.119 4.791 1.00 0.00 H new ATOM 0 HA ASN A 20 8.244 10.588 5.685 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.208 11.652 3.948 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.713 10.174 3.152 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.893 9.905 1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.341 9.120 1.689 1.00 0.00 H new ATOM 314 N PRO A 21 6.356 9.078 5.473 1.00 0.00 N ATOM 315 CA PRO A 21 5.183 8.189 5.564 1.00 0.00 C ATOM 316 C PRO A 21 4.454 7.969 4.234 1.00 0.00 C ATOM 317 O PRO A 21 4.755 8.606 3.230 1.00 0.00 O ATOM 318 CB PRO A 21 4.281 8.918 6.567 1.00 0.00 C ATOM 319 CG PRO A 21 5.209 9.781 7.339 1.00 0.00 C ATOM 320 CD PRO A 21 6.213 10.250 6.346 1.00 0.00 C ATOM 0 HA PRO A 21 5.473 7.181 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.519 9.509 6.059 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.759 8.215 7.216 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.682 10.620 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.683 9.226 8.148 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.865 11.126 5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.156 10.523 6.819 1.00 0.00 H new ATOM 328 N PHE A 22 3.539 7.002 4.241 1.00 0.00 N ATOM 329 CA PHE A 22 2.694 6.685 3.102 1.00 0.00 C ATOM 330 C PHE A 22 1.566 7.677 2.988 1.00 0.00 C ATOM 331 O PHE A 22 0.597 7.609 3.735 1.00 0.00 O ATOM 332 CB PHE A 22 2.093 5.295 3.251 1.00 0.00 C ATOM 333 CG PHE A 22 3.108 4.213 3.277 1.00 0.00 C ATOM 334 CD1 PHE A 22 3.578 3.675 2.098 1.00 0.00 C ATOM 335 CD2 PHE A 22 3.603 3.737 4.478 1.00 0.00 C ATOM 336 CE1 PHE A 22 4.524 2.680 2.112 1.00 0.00 C ATOM 337 CE2 PHE A 22 4.548 2.746 4.495 1.00 0.00 C ATOM 338 CZ PHE A 22 5.009 2.217 3.313 1.00 0.00 C ATOM 0 H PHE A 22 3.365 6.410 5.053 1.00 0.00 H new ATOM 0 HA PHE A 22 3.317 6.726 2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.509 5.257 4.170 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.403 5.116 2.427 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.199 4.039 1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.242 4.150 5.408 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.886 2.263 1.184 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.931 2.380 5.436 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.754 1.435 3.327 1.00 0.00 H new ATOM 348 N GLN A 23 1.705 8.584 2.057 1.00 0.00 N ATOM 349 CA GLN A 23 0.697 9.593 1.796 1.00 0.00 C ATOM 350 C GLN A 23 -0.077 9.260 0.517 1.00 0.00 C ATOM 351 O GLN A 23 0.458 9.381 -0.586 1.00 0.00 O ATOM 352 CB GLN A 23 1.329 10.964 1.605 1.00 0.00 C ATOM 353 CG GLN A 23 1.785 11.715 2.835 1.00 0.00 C ATOM 354 CD GLN A 23 2.822 11.002 3.653 1.00 0.00 C ATOM 355 OE1 GLN A 23 2.499 10.256 4.572 1.00 0.00 O ATOM 356 NE2 GLN A 23 4.078 11.247 3.333 1.00 0.00 N ATOM 0 H GLN A 23 2.523 8.649 1.452 1.00 0.00 H new ATOM 0 HA GLN A 23 0.029 9.607 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.191 10.845 0.948 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.611 11.592 1.078 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.185 12.681 2.527 1.00 0.00 H new ATOM 0 HG3 GLN A 23 0.918 11.915 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.294 11.876 2.559 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.833 10.808 3.859 1.00 0.00 H new ATOM 365 N PHE A 24 -1.335 8.879 0.658 1.00 0.00 N ATOM 366 CA PHE A 24 -2.169 8.544 -0.490 1.00 0.00 C ATOM 367 C PHE A 24 -3.424 9.382 -0.523 1.00 0.00 C ATOM 368 O PHE A 24 -4.392 9.061 0.150 1.00 0.00 O ATOM 369 CB PHE A 24 -2.617 7.101 -0.427 1.00 0.00 C ATOM 370 CG PHE A 24 -1.546 6.109 -0.656 1.00 0.00 C ATOM 371 CD1 PHE A 24 -1.171 5.816 -1.938 1.00 0.00 C ATOM 372 CD2 PHE A 24 -0.956 5.442 0.397 1.00 0.00 C ATOM 373 CE1 PHE A 24 -0.212 4.871 -2.190 1.00 0.00 C ATOM 374 CE2 PHE A 24 -0.003 4.476 0.170 1.00 0.00 C ATOM 375 CZ PHE A 24 0.381 4.182 -1.127 1.00 0.00 C ATOM 0 H PHE A 24 -1.805 8.793 1.559 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.560 8.730 -1.375 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.062 6.916 0.551 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.401 6.946 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.637 6.336 -2.762 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.245 5.680 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.085 4.659 -3.206 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.444 3.949 1.000 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.131 3.428 -1.316 1.00 0.00 H new ATOM 385 N GLU A 25 -3.463 10.398 -1.346 1.00 0.00 N ATOM 386 CA GLU A 25 -4.650 11.231 -1.386 1.00 0.00 C ATOM 387 C GLU A 25 -5.643 10.603 -2.351 1.00 0.00 C ATOM 388 O GLU A 25 -5.762 11.010 -3.502 1.00 0.00 O ATOM 389 CB GLU A 25 -4.277 12.654 -1.813 1.00 0.00 C ATOM 390 CG GLU A 25 -5.273 13.714 -1.368 1.00 0.00 C ATOM 391 CD GLU A 25 -4.907 15.098 -1.871 1.00 0.00 C ATOM 392 OE1 GLU A 25 -5.103 15.373 -3.075 1.00 0.00 O ATOM 393 OE2 GLU A 25 -4.406 15.918 -1.074 1.00 0.00 O ATOM 0 H GLU A 25 -2.713 10.668 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.106 11.296 -0.398 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.296 12.899 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.189 12.685 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.267 13.450 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.323 13.727 -0.279 1.00 0.00 H new ATOM 400 N ILE A 26 -6.384 9.630 -1.850 1.00 0.00 N ATOM 401 CA ILE A 26 -7.314 8.883 -2.678 1.00 0.00 C ATOM 402 C ILE A 26 -8.677 9.544 -2.743 1.00 0.00 C ATOM 403 O ILE A 26 -9.291 9.851 -1.731 1.00 0.00 O ATOM 404 CB ILE A 26 -7.499 7.439 -2.183 1.00 0.00 C ATOM 405 CG1 ILE A 26 -6.148 6.732 -2.101 1.00 0.00 C ATOM 406 CG2 ILE A 26 -8.439 6.695 -3.130 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.018 5.794 -0.919 1.00 0.00 C ATOM 0 H ILE A 26 -6.359 9.339 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.870 8.870 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.937 7.451 -1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.988 6.168 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.359 7.482 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.572 5.671 -2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.405 7.198 -3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.012 6.684 -4.133 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.032 5.330 -0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.145 6.355 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.784 5.021 -0.982 1.00 0.00 H new ATOM 419 N THR A 27 -9.154 9.718 -3.946 1.00 0.00 N ATOM 420 CA THR A 27 -10.477 10.252 -4.170 1.00 0.00 C ATOM 421 C THR A 27 -11.405 9.123 -4.542 1.00 0.00 C ATOM 422 O THR A 27 -11.365 8.613 -5.664 1.00 0.00 O ATOM 423 CB THR A 27 -10.471 11.298 -5.293 1.00 0.00 C ATOM 424 OG1 THR A 27 -9.398 12.223 -5.086 1.00 0.00 O ATOM 425 CG2 THR A 27 -11.791 12.050 -5.342 1.00 0.00 C ATOM 0 H THR A 27 -8.641 9.495 -4.799 1.00 0.00 H new ATOM 0 HA THR A 27 -10.816 10.738 -3.255 1.00 0.00 H new ATOM 0 HB THR A 27 -10.333 10.781 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.396 12.888 -5.806 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.761 12.785 -6.146 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.604 11.347 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.956 12.558 -4.392 1.00 0.00 H new ATOM 433 N PHE A 28 -12.239 8.726 -3.607 1.00 0.00 N ATOM 434 CA PHE A 28 -13.165 7.678 -3.862 1.00 0.00 C ATOM 435 C PHE A 28 -14.551 8.212 -3.859 1.00 0.00 C ATOM 436 O PHE A 28 -14.905 9.069 -3.066 1.00 0.00 O ATOM 437 CB PHE A 28 -13.030 6.549 -2.857 1.00 0.00 C ATOM 438 CG PHE A 28 -13.521 6.812 -1.460 1.00 0.00 C ATOM 439 CD1 PHE A 28 -12.803 7.597 -0.571 1.00 0.00 C ATOM 440 CD2 PHE A 28 -14.683 6.205 -1.020 1.00 0.00 C ATOM 441 CE1 PHE A 28 -13.247 7.768 0.727 1.00 0.00 C ATOM 442 CE2 PHE A 28 -15.118 6.360 0.274 1.00 0.00 C ATOM 443 CZ PHE A 28 -14.406 7.138 1.147 1.00 0.00 C ATOM 0 H PHE A 28 -12.285 9.121 -2.668 1.00 0.00 H new ATOM 0 HA PHE A 28 -12.940 7.267 -4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -13.566 5.684 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.977 6.272 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -11.892 8.078 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -15.258 5.599 -1.705 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -12.691 8.391 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -16.022 5.868 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 28 -14.749 7.260 2.164 1.00 0.00 H new ATOM 453 N GLU A 29 -15.331 7.694 -4.742 1.00 0.00 N ATOM 454 CA GLU A 29 -16.693 8.103 -4.829 1.00 0.00 C ATOM 455 C GLU A 29 -17.527 7.050 -4.173 1.00 0.00 C ATOM 456 O GLU A 29 -17.517 5.888 -4.585 1.00 0.00 O ATOM 457 CB GLU A 29 -17.135 8.300 -6.270 1.00 0.00 C ATOM 458 CG GLU A 29 -18.560 8.805 -6.379 1.00 0.00 C ATOM 459 CD GLU A 29 -19.044 8.882 -7.807 1.00 0.00 C ATOM 460 OE1 GLU A 29 -18.827 9.922 -8.464 1.00 0.00 O ATOM 461 OE2 GLU A 29 -19.663 7.911 -8.274 1.00 0.00 O ATOM 0 H GLU A 29 -15.050 6.983 -5.418 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.813 9.064 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.465 9.007 -6.758 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.046 7.355 -6.806 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.218 8.147 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -18.627 9.793 -5.923 1.00 0.00 H new ATOM 468 N CYS A 30 -18.208 7.432 -3.126 1.00 0.00 N ATOM 469 CA CYS A 30 -19.142 6.538 -2.528 1.00 0.00 C ATOM 470 C CYS A 30 -20.317 6.481 -3.441 1.00 0.00 C ATOM 471 O CYS A 30 -21.083 7.427 -3.584 1.00 0.00 O ATOM 472 CB CYS A 30 -19.527 6.987 -1.126 1.00 0.00 C ATOM 473 SG CYS A 30 -20.579 5.844 -0.213 1.00 0.00 S ATOM 0 H CYS A 30 -18.130 8.346 -2.679 1.00 0.00 H new ATOM 0 HA CYS A 30 -18.708 5.546 -2.403 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -18.615 7.153 -0.552 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -20.038 7.947 -1.197 1.00 0.00 H new ATOM 0 HG CYS A 30 -21.280 5.137 -1.049 1.00 0.00 H new ATOM 479 N ILE A 31 -20.376 5.384 -4.129 1.00 0.00 N ATOM 480 CA ILE A 31 -21.360 5.181 -5.136 1.00 0.00 C ATOM 481 C ILE A 31 -22.705 4.988 -4.494 1.00 0.00 C ATOM 482 O ILE A 31 -23.736 5.367 -5.056 1.00 0.00 O ATOM 483 CB ILE A 31 -21.004 3.974 -6.016 1.00 0.00 C ATOM 484 CG1 ILE A 31 -19.666 3.352 -5.607 1.00 0.00 C ATOM 485 CG2 ILE A 31 -20.923 4.433 -7.438 1.00 0.00 C ATOM 486 CD1 ILE A 31 -19.232 2.217 -6.514 1.00 0.00 C ATOM 0 H ILE A 31 -19.736 4.600 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 31 -21.393 6.062 -5.777 1.00 0.00 H new ATOM 0 HB ILE A 31 -21.775 3.213 -5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -18.897 4.125 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.742 2.982 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -20.671 3.588 -8.079 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -21.885 4.845 -7.743 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -20.154 5.200 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.277 1.821 -6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.982 1.427 -6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -19.124 2.587 -7.534 1.00 0.00 H new ATOM 498 N GLU A 32 -22.690 4.430 -3.291 1.00 0.00 N ATOM 499 CA GLU A 32 -23.918 4.128 -2.592 1.00 0.00 C ATOM 500 C GLU A 32 -23.676 4.230 -1.099 1.00 0.00 C ATOM 501 O GLU A 32 -22.587 3.920 -0.625 1.00 0.00 O ATOM 502 CB GLU A 32 -24.404 2.735 -2.993 1.00 0.00 C ATOM 503 CG GLU A 32 -24.655 2.608 -4.482 1.00 0.00 C ATOM 504 CD GLU A 32 -25.217 1.264 -4.892 1.00 0.00 C ATOM 505 OE1 GLU A 32 -26.447 1.075 -4.788 1.00 0.00 O ATOM 506 OE2 GLU A 32 -24.443 0.395 -5.342 1.00 0.00 O ATOM 0 H GLU A 32 -21.840 4.180 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 32 -24.696 4.842 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -23.663 1.995 -2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -25.323 2.506 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -25.346 3.391 -4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -23.720 2.779 -5.015 1.00 0.00 H new ATOM 513 N ASP A 33 -24.694 4.663 -0.377 1.00 0.00 N ATOM 514 CA ASP A 33 -24.557 4.998 1.037 1.00 0.00 C ATOM 515 C ASP A 33 -24.103 3.796 1.847 1.00 0.00 C ATOM 516 O ASP A 33 -24.566 2.674 1.640 1.00 0.00 O ATOM 517 CB ASP A 33 -25.867 5.564 1.599 1.00 0.00 C ATOM 518 CG ASP A 33 -27.028 4.601 1.495 1.00 0.00 C ATOM 519 OD1 ASP A 33 -27.598 4.470 0.389 1.00 0.00 O ATOM 520 OD2 ASP A 33 -27.387 3.983 2.520 1.00 0.00 O ATOM 0 H ASP A 33 -25.635 4.793 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 33 -23.790 5.768 1.119 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -25.719 5.833 2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -26.116 6.482 1.066 1.00 0.00 H new ATOM 525 N LEU A 34 -23.199 4.051 2.776 1.00 0.00 N ATOM 526 CA LEU A 34 -22.534 3.002 3.507 1.00 0.00 C ATOM 527 C LEU A 34 -23.249 2.756 4.820 1.00 0.00 C ATOM 528 O LEU A 34 -23.904 3.653 5.346 1.00 0.00 O ATOM 529 CB LEU A 34 -21.080 3.414 3.733 1.00 0.00 C ATOM 530 CG LEU A 34 -20.081 2.926 2.692 1.00 0.00 C ATOM 531 CD1 LEU A 34 -18.666 3.100 3.208 1.00 0.00 C ATOM 532 CD2 LEU A 34 -20.354 1.481 2.322 1.00 0.00 C ATOM 0 H LEU A 34 -22.909 4.993 3.040 1.00 0.00 H new ATOM 0 HA LEU A 34 -22.554 2.071 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -21.033 4.502 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -20.766 3.046 4.710 1.00 0.00 H new ATOM 0 HG LEU A 34 -20.194 3.526 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -17.959 2.748 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.481 4.154 3.415 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.539 2.523 4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.629 1.153 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.270 0.856 3.211 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -21.360 1.394 1.912 1.00 0.00 H new ATOM 544 N SER A 35 -23.179 1.533 5.314 1.00 0.00 N ATOM 545 CA SER A 35 -23.843 1.185 6.558 1.00 0.00 C ATOM 546 C SER A 35 -22.811 0.842 7.626 1.00 0.00 C ATOM 547 O SER A 35 -23.061 0.977 8.824 1.00 0.00 O ATOM 548 CB SER A 35 -24.814 0.020 6.338 1.00 0.00 C ATOM 549 OG SER A 35 -25.662 -0.170 7.460 1.00 0.00 O ATOM 0 H SER A 35 -22.671 0.766 4.875 1.00 0.00 H new ATOM 0 HA SER A 35 -24.419 2.044 6.903 1.00 0.00 H new ATOM 0 HB2 SER A 35 -25.419 0.212 5.452 1.00 0.00 H new ATOM 0 HB3 SER A 35 -24.251 -0.893 6.148 1.00 0.00 H new ATOM 0 HG SER A 35 -26.270 -0.919 7.287 1.00 0.00 H new ATOM 555 N GLU A 36 -21.645 0.401 7.178 1.00 0.00 N ATOM 556 CA GLU A 36 -20.573 0.009 8.074 1.00 0.00 C ATOM 557 C GLU A 36 -19.342 0.861 7.777 1.00 0.00 C ATOM 558 O GLU A 36 -19.434 1.846 7.043 1.00 0.00 O ATOM 559 CB GLU A 36 -20.266 -1.485 7.897 1.00 0.00 C ATOM 560 CG GLU A 36 -19.591 -2.129 9.097 1.00 0.00 C ATOM 561 CD GLU A 36 -19.282 -3.593 8.877 1.00 0.00 C ATOM 562 OE1 GLU A 36 -20.192 -4.432 9.069 1.00 0.00 O ATOM 563 OE2 GLU A 36 -18.136 -3.916 8.512 1.00 0.00 O ATOM 0 H GLU A 36 -21.418 0.306 6.188 1.00 0.00 H new ATOM 0 HA GLU A 36 -20.872 0.171 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -21.197 -2.014 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -19.627 -1.612 7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -18.666 -1.596 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -20.235 -2.025 9.970 1.00 0.00 H new ATOM 570 N ASP A 37 -18.203 0.483 8.332 1.00 0.00 N ATOM 571 CA ASP A 37 -16.982 1.240 8.176 1.00 0.00 C ATOM 572 C ASP A 37 -16.163 0.695 7.019 1.00 0.00 C ATOM 573 O ASP A 37 -16.007 -0.515 6.855 1.00 0.00 O ATOM 574 CB ASP A 37 -16.148 1.197 9.462 1.00 0.00 C ATOM 575 CG ASP A 37 -15.917 -0.209 9.984 1.00 0.00 C ATOM 576 OD1 ASP A 37 -16.897 -0.871 10.389 1.00 0.00 O ATOM 577 OD2 ASP A 37 -14.751 -0.647 10.027 1.00 0.00 O ATOM 0 H ASP A 37 -18.103 -0.357 8.902 1.00 0.00 H new ATOM 0 HA ASP A 37 -17.253 2.275 7.966 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.184 1.671 9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -16.649 1.784 10.231 1.00 0.00 H new ATOM 582 N LEU A 38 -15.661 1.603 6.218 1.00 0.00 N ATOM 583 CA LEU A 38 -14.802 1.280 5.103 1.00 0.00 C ATOM 584 C LEU A 38 -13.382 1.118 5.617 1.00 0.00 C ATOM 585 O LEU A 38 -12.813 2.068 6.151 1.00 0.00 O ATOM 586 CB LEU A 38 -14.869 2.426 4.097 1.00 0.00 C ATOM 587 CG LEU A 38 -14.741 2.039 2.629 1.00 0.00 C ATOM 588 CD1 LEU A 38 -13.395 1.389 2.349 1.00 0.00 C ATOM 589 CD2 LEU A 38 -15.880 1.108 2.237 1.00 0.00 C ATOM 0 H LEU A 38 -15.840 2.602 6.323 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.118 0.355 4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.817 2.947 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.078 3.137 4.334 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.802 2.945 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.332 1.123 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.595 2.087 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.292 0.490 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.782 0.836 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.842 0.208 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.833 1.613 2.393 1.00 0.00 H new ATOM 601 N GLU A 39 -12.804 -0.059 5.447 1.00 0.00 N ATOM 602 CA GLU A 39 -11.514 -0.333 6.074 1.00 0.00 C ATOM 603 C GLU A 39 -10.385 -0.297 5.051 1.00 0.00 C ATOM 604 O GLU A 39 -10.039 -1.304 4.454 1.00 0.00 O ATOM 605 CB GLU A 39 -11.567 -1.685 6.803 1.00 0.00 C ATOM 606 CG GLU A 39 -10.399 -1.944 7.749 1.00 0.00 C ATOM 607 CD GLU A 39 -9.229 -2.646 7.088 1.00 0.00 C ATOM 608 OE1 GLU A 39 -9.270 -3.889 6.960 1.00 0.00 O ATOM 609 OE2 GLU A 39 -8.254 -1.968 6.717 1.00 0.00 O ATOM 0 H GLU A 39 -13.192 -0.825 4.896 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.307 0.448 6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.496 -1.740 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.599 -2.482 6.060 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.057 -0.994 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.748 -2.547 8.587 1.00 0.00 H new ATOM 616 N TRP A 40 -9.807 0.873 4.856 1.00 0.00 N ATOM 617 CA TRP A 40 -8.677 1.012 3.948 1.00 0.00 C ATOM 618 C TRP A 40 -7.429 0.610 4.673 1.00 0.00 C ATOM 619 O TRP A 40 -7.255 0.972 5.827 1.00 0.00 O ATOM 620 CB TRP A 40 -8.458 2.444 3.499 1.00 0.00 C ATOM 621 CG TRP A 40 -9.651 3.145 2.975 1.00 0.00 C ATOM 622 CD1 TRP A 40 -10.801 3.430 3.641 1.00 0.00 C ATOM 623 CD2 TRP A 40 -9.781 3.710 1.681 1.00 0.00 C ATOM 624 NE1 TRP A 40 -11.646 4.126 2.828 1.00 0.00 N ATOM 625 CE2 TRP A 40 -11.045 4.309 1.624 1.00 0.00 C ATOM 626 CE3 TRP A 40 -8.956 3.766 0.555 1.00 0.00 C ATOM 627 CZ2 TRP A 40 -11.502 4.956 0.503 1.00 0.00 C ATOM 628 CZ3 TRP A 40 -9.416 4.407 -0.560 1.00 0.00 C ATOM 629 CH2 TRP A 40 -10.681 5.000 -0.573 1.00 0.00 C ATOM 0 H TRP A 40 -10.097 1.739 5.310 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.893 0.390 3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.067 3.013 4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -7.689 2.449 2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -11.014 3.147 4.661 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -12.577 4.455 3.083 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.976 3.312 0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.480 5.413 0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.795 4.456 -1.442 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -11.013 5.508 -1.466 1.00 0.00 H new ATOM 640 N LYS A 41 -6.545 -0.086 4.012 1.00 0.00 N ATOM 641 CA LYS A 41 -5.315 -0.458 4.658 1.00 0.00 C ATOM 642 C LYS A 41 -4.130 -0.317 3.733 1.00 0.00 C ATOM 643 O LYS A 41 -4.228 -0.576 2.538 1.00 0.00 O ATOM 644 CB LYS A 41 -5.398 -1.883 5.143 1.00 0.00 C ATOM 645 CG LYS A 41 -4.275 -2.258 6.083 1.00 0.00 C ATOM 646 CD LYS A 41 -4.444 -3.670 6.590 1.00 0.00 C ATOM 647 CE LYS A 41 -5.844 -3.892 7.110 1.00 0.00 C ATOM 648 NZ LYS A 41 -6.789 -4.334 6.047 1.00 0.00 N ATOM 0 H LYS A 41 -6.648 -0.402 3.048 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.172 0.218 5.501 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.352 -2.033 5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.384 -2.554 4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.319 -2.164 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.254 -1.566 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.234 -4.377 5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.722 -3.865 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.819 -4.641 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.212 -2.968 7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.726 -4.504 6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.863 -3.595 5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.438 -5.212 5.614 1.00 0.00 H new ATOM 662 N ILE A 42 -3.004 0.059 4.309 1.00 0.00 N ATOM 663 CA ILE A 42 -1.758 0.104 3.579 1.00 0.00 C ATOM 664 C ILE A 42 -0.929 -1.100 3.965 1.00 0.00 C ATOM 665 O ILE A 42 -0.532 -1.251 5.126 1.00 0.00 O ATOM 666 CB ILE A 42 -0.944 1.372 3.889 1.00 0.00 C ATOM 667 CG1 ILE A 42 -1.804 2.622 3.709 1.00 0.00 C ATOM 668 CG2 ILE A 42 0.291 1.430 2.995 1.00 0.00 C ATOM 669 CD1 ILE A 42 -1.107 3.892 4.120 1.00 0.00 C ATOM 0 H ILE A 42 -2.930 0.339 5.287 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.996 0.108 2.515 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.619 1.335 4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.102 2.702 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.718 2.512 4.293 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.862 2.331 3.221 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.912 0.552 3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.017 1.448 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.775 4.740 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.833 3.832 5.173 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.208 4.025 3.518 1.00 0.00 H new ATOM 681 N ILE A 43 -0.675 -1.950 2.997 1.00 0.00 N ATOM 682 CA ILE A 43 0.059 -3.172 3.245 1.00 0.00 C ATOM 683 C ILE A 43 1.380 -3.110 2.520 1.00 0.00 C ATOM 684 O ILE A 43 1.445 -3.190 1.290 1.00 0.00 O ATOM 685 CB ILE A 43 -0.709 -4.457 2.831 1.00 0.00 C ATOM 686 CG1 ILE A 43 -1.921 -4.704 3.741 1.00 0.00 C ATOM 687 CG2 ILE A 43 0.219 -5.669 2.862 1.00 0.00 C ATOM 688 CD1 ILE A 43 -3.178 -3.971 3.329 1.00 0.00 C ATOM 0 H ILE A 43 -0.966 -1.818 2.028 1.00 0.00 H new ATOM 0 HA ILE A 43 0.207 -3.240 4.323 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.071 -4.310 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.130 -5.773 3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.661 -4.409 4.758 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.336 -6.560 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.045 -5.512 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.611 -5.801 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.981 -4.205 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.992 -2.897 3.336 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.468 -4.282 2.326 1.00 0.00 H new ATOM 700 N TYR A 44 2.424 -2.934 3.292 1.00 0.00 N ATOM 701 CA TYR A 44 3.754 -2.825 2.758 1.00 0.00 C ATOM 702 C TYR A 44 4.406 -4.183 2.740 1.00 0.00 C ATOM 703 O TYR A 44 4.626 -4.779 3.792 1.00 0.00 O ATOM 704 CB TYR A 44 4.589 -1.884 3.616 1.00 0.00 C ATOM 705 CG TYR A 44 5.933 -1.548 3.022 1.00 0.00 C ATOM 706 CD1 TYR A 44 7.035 -2.369 3.216 1.00 0.00 C ATOM 707 CD2 TYR A 44 6.097 -0.398 2.279 1.00 0.00 C ATOM 708 CE1 TYR A 44 8.264 -2.043 2.680 1.00 0.00 C ATOM 709 CE2 TYR A 44 7.317 -0.062 1.748 1.00 0.00 C ATOM 710 CZ TYR A 44 8.399 -0.886 1.948 1.00 0.00 C ATOM 711 OH TYR A 44 9.617 -0.548 1.420 1.00 0.00 O ATOM 0 H TYR A 44 2.373 -2.863 4.308 1.00 0.00 H new ATOM 0 HA TYR A 44 3.693 -2.430 1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.031 -0.961 3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.739 -2.338 4.596 1.00 0.00 H new ATOM 0 HD1 TYR A 44 6.929 -3.275 3.794 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.250 0.250 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.114 -2.691 2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 44 7.427 0.847 1.175 1.00 0.00 H new ATOM 0 HH TYR A 44 10.125 -1.362 1.223 1.00 0.00 H new ATOM 721 N VAL A 45 4.700 -4.678 1.561 1.00 0.00 N ATOM 722 CA VAL A 45 5.485 -5.885 1.453 1.00 0.00 C ATOM 723 C VAL A 45 6.832 -5.668 2.120 1.00 0.00 C ATOM 724 O VAL A 45 7.635 -4.898 1.646 1.00 0.00 O ATOM 725 CB VAL A 45 5.671 -6.321 -0.021 1.00 0.00 C ATOM 726 CG1 VAL A 45 6.860 -7.260 -0.185 1.00 0.00 C ATOM 727 CG2 VAL A 45 4.407 -7.004 -0.503 1.00 0.00 C ATOM 0 H VAL A 45 4.411 -4.269 0.672 1.00 0.00 H new ATOM 0 HA VAL A 45 4.950 -6.689 1.958 1.00 0.00 H new ATOM 0 HB VAL A 45 5.868 -5.431 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.958 -7.544 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.770 -6.756 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.704 -8.153 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.533 -7.313 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.209 -7.880 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.569 -6.311 -0.430 1.00 0.00 H new ATOM 737 N GLY A 46 7.026 -6.275 3.270 1.00 0.00 N ATOM 738 CA GLY A 46 8.346 -6.300 3.860 1.00 0.00 C ATOM 739 C GLY A 46 8.996 -7.623 3.572 1.00 0.00 C ATOM 740 O GLY A 46 9.993 -7.998 4.173 1.00 0.00 O ATOM 0 H GLY A 46 6.301 -6.750 3.807 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.952 -5.489 3.456 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.278 -6.142 4.936 1.00 0.00 H new ATOM 744 N SER A 47 8.384 -8.352 2.658 1.00 0.00 N ATOM 745 CA SER A 47 8.809 -9.688 2.327 1.00 0.00 C ATOM 746 C SER A 47 8.876 -9.921 0.824 1.00 0.00 C ATOM 747 O SER A 47 8.148 -10.749 0.280 1.00 0.00 O ATOM 748 CB SER A 47 7.845 -10.677 2.947 1.00 0.00 C ATOM 749 OG SER A 47 8.471 -11.431 3.954 1.00 0.00 O ATOM 0 H SER A 47 7.576 -8.028 2.126 1.00 0.00 H new ATOM 0 HA SER A 47 9.816 -9.825 2.722 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.991 -10.144 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.458 -11.344 2.177 1.00 0.00 H new ATOM 0 HG SER A 47 9.372 -11.080 4.113 1.00 0.00 H new ATOM 755 N ALA A 48 9.727 -9.175 0.160 1.00 0.00 N ATOM 756 CA ALA A 48 10.108 -9.499 -1.205 1.00 0.00 C ATOM 757 C ALA A 48 11.153 -10.605 -1.178 1.00 0.00 C ATOM 758 O ALA A 48 11.496 -11.194 -2.201 1.00 0.00 O ATOM 759 CB ALA A 48 10.633 -8.264 -1.920 1.00 0.00 C ATOM 0 H ALA A 48 10.172 -8.338 0.538 1.00 0.00 H new ATOM 0 HA ALA A 48 9.235 -9.849 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.913 -8.526 -2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.857 -7.499 -1.942 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.506 -7.881 -1.391 1.00 0.00 H new ATOM 765 N GLU A 49 11.652 -10.869 0.025 1.00 0.00 N ATOM 766 CA GLU A 49 12.603 -11.941 0.264 1.00 0.00 C ATOM 767 C GLU A 49 11.865 -13.150 0.842 1.00 0.00 C ATOM 768 O GLU A 49 12.051 -14.281 0.394 1.00 0.00 O ATOM 769 CB GLU A 49 13.694 -11.466 1.224 1.00 0.00 C ATOM 770 CG GLU A 49 15.088 -11.988 0.901 1.00 0.00 C ATOM 771 CD GLU A 49 16.143 -11.461 1.854 1.00 0.00 C ATOM 772 OE1 GLU A 49 16.388 -12.106 2.895 1.00 0.00 O ATOM 773 OE2 GLU A 49 16.743 -10.402 1.561 1.00 0.00 O ATOM 0 H GLU A 49 11.405 -10.342 0.863 1.00 0.00 H new ATOM 0 HA GLU A 49 13.076 -12.229 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.717 -10.376 1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.430 -11.773 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 49 15.082 -13.077 0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.351 -11.705 -0.118 1.00 0.00 H new ATOM 780 N SER A 50 11.013 -12.895 1.838 1.00 0.00 N ATOM 781 CA SER A 50 10.192 -13.931 2.442 1.00 0.00 C ATOM 782 C SER A 50 8.741 -13.786 1.977 1.00 0.00 C ATOM 783 O SER A 50 8.506 -13.609 0.792 1.00 0.00 O ATOM 784 CB SER A 50 10.297 -13.836 3.956 1.00 0.00 C ATOM 785 OG SER A 50 11.635 -13.990 4.388 1.00 0.00 O ATOM 0 H SER A 50 10.878 -11.968 2.242 1.00 0.00 H new ATOM 0 HA SER A 50 10.547 -14.913 2.130 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.913 -12.872 4.290 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.674 -14.603 4.415 1.00 0.00 H new ATOM 0 HG SER A 50 11.671 -13.939 5.366 1.00 0.00 H new ATOM 791 N GLU A 51 7.767 -13.871 2.884 1.00 0.00 N ATOM 792 CA GLU A 51 6.376 -13.581 2.513 1.00 0.00 C ATOM 793 C GLU A 51 5.518 -13.120 3.692 1.00 0.00 C ATOM 794 O GLU A 51 4.492 -12.478 3.490 1.00 0.00 O ATOM 795 CB GLU A 51 5.726 -14.789 1.841 1.00 0.00 C ATOM 796 CG GLU A 51 5.786 -16.057 2.672 1.00 0.00 C ATOM 797 CD GLU A 51 4.976 -17.175 2.058 1.00 0.00 C ATOM 798 OE1 GLU A 51 5.464 -17.811 1.095 1.00 0.00 O ATOM 799 OE2 GLU A 51 3.846 -17.420 2.528 1.00 0.00 O ATOM 0 H GLU A 51 7.907 -14.132 3.860 1.00 0.00 H new ATOM 0 HA GLU A 51 6.424 -12.751 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.683 -14.556 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.217 -14.969 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.824 -16.375 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.416 -15.850 3.676 1.00 0.00 H new ATOM 806 N GLU A 52 5.944 -13.403 4.915 1.00 0.00 N ATOM 807 CA GLU A 52 5.124 -13.104 6.085 1.00 0.00 C ATOM 808 C GLU A 52 5.416 -11.713 6.625 1.00 0.00 C ATOM 809 O GLU A 52 4.869 -11.302 7.646 1.00 0.00 O ATOM 810 CB GLU A 52 5.355 -14.150 7.168 1.00 0.00 C ATOM 811 CG GLU A 52 5.126 -15.558 6.676 1.00 0.00 C ATOM 812 CD GLU A 52 5.149 -16.579 7.788 1.00 0.00 C ATOM 813 OE1 GLU A 52 4.092 -16.809 8.413 1.00 0.00 O ATOM 814 OE2 GLU A 52 6.221 -17.160 8.046 1.00 0.00 O ATOM 0 H GLU A 52 6.844 -13.835 5.124 1.00 0.00 H new ATOM 0 HA GLU A 52 4.078 -13.131 5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.375 -14.061 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.690 -13.950 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.165 -15.607 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.891 -15.810 5.942 1.00 0.00 H new ATOM 821 N TYR A 53 6.290 -10.997 5.939 1.00 0.00 N ATOM 822 CA TYR A 53 6.708 -9.675 6.393 1.00 0.00 C ATOM 823 C TYR A 53 5.879 -8.557 5.775 1.00 0.00 C ATOM 824 O TYR A 53 6.172 -7.390 6.012 1.00 0.00 O ATOM 825 CB TYR A 53 8.176 -9.421 6.082 1.00 0.00 C ATOM 826 CG TYR A 53 9.139 -10.372 6.746 1.00 0.00 C ATOM 827 CD1 TYR A 53 8.954 -10.810 8.048 1.00 0.00 C ATOM 828 CD2 TYR A 53 10.243 -10.829 6.051 1.00 0.00 C ATOM 829 CE1 TYR A 53 9.849 -11.682 8.637 1.00 0.00 C ATOM 830 CE2 TYR A 53 11.139 -11.697 6.624 1.00 0.00 C ATOM 831 CZ TYR A 53 10.942 -12.123 7.919 1.00 0.00 C ATOM 832 OH TYR A 53 11.841 -12.991 8.498 1.00 0.00 O ATOM 0 H TYR A 53 6.724 -11.304 5.069 1.00 0.00 H new ATOM 0 HA TYR A 53 6.551 -9.669 7.472 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.319 -9.477 5.003 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.426 -8.404 6.384 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.099 -10.465 8.610 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.404 -10.496 5.036 1.00 0.00 H new ATOM 0 HE1 TYR A 53 9.694 -12.016 9.652 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.994 -12.044 6.062 1.00 0.00 H new ATOM 0 HH TYR A 53 12.551 -13.203 7.856 1.00 0.00 H new ATOM 842 N ASP A 54 4.900 -8.892 4.930 1.00 0.00 N ATOM 843 CA ASP A 54 3.923 -7.897 4.483 1.00 0.00 C ATOM 844 C ASP A 54 3.260 -7.210 5.690 1.00 0.00 C ATOM 845 O ASP A 54 2.297 -7.704 6.269 1.00 0.00 O ATOM 846 CB ASP A 54 2.873 -8.534 3.554 1.00 0.00 C ATOM 847 CG ASP A 54 1.989 -9.578 4.223 1.00 0.00 C ATOM 848 OD1 ASP A 54 2.470 -10.303 5.119 1.00 0.00 O ATOM 849 OD2 ASP A 54 0.804 -9.688 3.835 1.00 0.00 O ATOM 0 H ASP A 54 4.764 -9.828 4.548 1.00 0.00 H new ATOM 0 HA ASP A 54 4.449 -7.134 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.239 -7.746 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.385 -8.997 2.711 1.00 0.00 H new ATOM 854 N GLN A 55 3.791 -6.057 6.058 1.00 0.00 N ATOM 855 CA GLN A 55 3.360 -5.360 7.257 1.00 0.00 C ATOM 856 C GLN A 55 2.295 -4.311 6.958 1.00 0.00 C ATOM 857 O GLN A 55 2.032 -3.975 5.807 1.00 0.00 O ATOM 858 CB GLN A 55 4.539 -4.740 8.003 1.00 0.00 C ATOM 859 CG GLN A 55 5.779 -4.591 7.170 1.00 0.00 C ATOM 860 CD GLN A 55 6.807 -3.731 7.863 1.00 0.00 C ATOM 861 OE1 GLN A 55 6.451 -2.853 8.641 1.00 0.00 O ATOM 862 NE2 GLN A 55 8.084 -3.972 7.606 1.00 0.00 N ATOM 0 H GLN A 55 4.528 -5.580 5.538 1.00 0.00 H new ATOM 0 HA GLN A 55 2.908 -6.109 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.244 -3.759 8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.770 -5.356 8.872 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.203 -5.574 6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.522 -4.149 6.207 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.342 -4.711 6.952 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.809 -3.418 8.062 1.00 0.00 H new ATOM 871 N VAL A 56 1.701 -3.795 8.019 1.00 0.00 N ATOM 872 CA VAL A 56 0.497 -2.998 7.943 1.00 0.00 C ATOM 873 C VAL A 56 0.732 -1.687 8.645 1.00 0.00 C ATOM 874 O VAL A 56 1.010 -1.645 9.844 1.00 0.00 O ATOM 875 CB VAL A 56 -0.710 -3.719 8.585 1.00 0.00 C ATOM 876 CG1 VAL A 56 -1.863 -2.750 8.811 1.00 0.00 C ATOM 877 CG2 VAL A 56 -1.157 -4.882 7.715 1.00 0.00 C ATOM 0 H VAL A 56 2.049 -3.921 8.969 1.00 0.00 H new ATOM 0 HA VAL A 56 0.263 -2.833 6.891 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.398 -4.108 9.554 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.701 -3.281 9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.540 -1.948 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.175 -2.327 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.008 -5.379 8.181 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.448 -4.511 6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.337 -5.592 7.607 1.00 0.00 H new ATOM 887 N LEU A 57 0.641 -0.625 7.885 1.00 0.00 N ATOM 888 CA LEU A 57 0.986 0.684 8.373 1.00 0.00 C ATOM 889 C LEU A 57 -0.186 1.332 9.074 1.00 0.00 C ATOM 890 O LEU A 57 -0.110 1.681 10.254 1.00 0.00 O ATOM 891 CB LEU A 57 1.478 1.534 7.209 1.00 0.00 C ATOM 892 CG LEU A 57 2.839 1.110 6.668 1.00 0.00 C ATOM 893 CD1 LEU A 57 3.824 1.044 7.798 1.00 0.00 C ATOM 894 CD2 LEU A 57 2.767 -0.218 5.937 1.00 0.00 C ATOM 0 H LEU A 57 0.327 -0.644 6.915 1.00 0.00 H new ATOM 0 HA LEU A 57 1.784 0.595 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.746 1.487 6.402 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.533 2.574 7.529 1.00 0.00 H new ATOM 0 HG LEU A 57 3.168 1.853 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.798 0.741 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.907 2.025 8.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.483 0.318 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.757 -0.484 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.415 -0.991 6.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.077 -0.134 5.098 1.00 0.00 H new ATOM 906 N ASP A 58 -1.276 1.478 8.357 1.00 0.00 N ATOM 907 CA ASP A 58 -2.475 2.034 8.936 1.00 0.00 C ATOM 908 C ASP A 58 -3.694 1.522 8.201 1.00 0.00 C ATOM 909 O ASP A 58 -3.615 1.170 7.020 1.00 0.00 O ATOM 910 CB ASP A 58 -2.442 3.565 8.904 1.00 0.00 C ATOM 911 CG ASP A 58 -3.609 4.182 9.644 1.00 0.00 C ATOM 912 OD1 ASP A 58 -3.833 3.815 10.818 1.00 0.00 O ATOM 913 OD2 ASP A 58 -4.311 5.032 9.061 1.00 0.00 O ATOM 0 H ASP A 58 -1.357 1.220 7.374 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.529 1.718 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.509 3.915 9.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.451 3.904 7.868 1.00 0.00 H new ATOM 918 N SER A 59 -4.806 1.468 8.903 1.00 0.00 N ATOM 919 CA SER A 59 -6.054 1.070 8.332 1.00 0.00 C ATOM 920 C SER A 59 -7.115 2.047 8.804 1.00 0.00 C ATOM 921 O SER A 59 -7.456 2.096 9.988 1.00 0.00 O ATOM 922 CB SER A 59 -6.382 -0.376 8.715 1.00 0.00 C ATOM 923 OG SER A 59 -6.196 -0.596 10.106 1.00 0.00 O ATOM 0 H SER A 59 -4.859 1.703 9.894 1.00 0.00 H new ATOM 0 HA SER A 59 -6.009 1.095 7.243 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.413 -0.601 8.444 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.747 -1.057 8.149 1.00 0.00 H new ATOM 0 HG SER A 59 -6.554 0.166 10.608 1.00 0.00 H new ATOM 929 N VAL A 60 -7.606 2.843 7.879 1.00 0.00 N ATOM 930 CA VAL A 60 -8.490 3.939 8.216 1.00 0.00 C ATOM 931 C VAL A 60 -9.921 3.538 7.964 1.00 0.00 C ATOM 932 O VAL A 60 -10.247 2.947 6.933 1.00 0.00 O ATOM 933 CB VAL A 60 -8.169 5.212 7.401 1.00 0.00 C ATOM 934 CG1 VAL A 60 -8.105 4.882 5.928 1.00 0.00 C ATOM 935 CG2 VAL A 60 -9.218 6.284 7.639 1.00 0.00 C ATOM 0 H VAL A 60 -7.407 2.751 6.883 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.341 4.166 9.272 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.202 5.592 7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.878 5.786 5.362 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.325 4.140 5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.065 4.482 5.603 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.971 7.171 7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -10.196 5.910 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.241 6.542 8.698 1.00 0.00 H new ATOM 945 N LEU A 61 -10.772 3.842 8.919 1.00 0.00 N ATOM 946 CA LEU A 61 -12.149 3.445 8.825 1.00 0.00 C ATOM 947 C LEU A 61 -13.022 4.644 8.497 1.00 0.00 C ATOM 948 O LEU A 61 -13.272 5.499 9.347 1.00 0.00 O ATOM 949 CB LEU A 61 -12.600 2.792 10.135 1.00 0.00 C ATOM 950 CG LEU A 61 -11.581 1.838 10.772 1.00 0.00 C ATOM 951 CD1 LEU A 61 -12.190 1.126 11.965 1.00 0.00 C ATOM 952 CD2 LEU A 61 -11.076 0.828 9.756 1.00 0.00 C ATOM 0 H LEU A 61 -10.531 4.361 9.764 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.251 2.716 8.021 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.836 3.578 10.852 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.523 2.242 9.950 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.733 2.431 11.116 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -11.452 0.454 12.403 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.498 1.861 12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.058 0.551 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.355 0.163 10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.914 0.243 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.596 1.352 8.930 1.00 0.00 H new ATOM 964 N VAL A 62 -13.459 4.713 7.253 1.00 0.00 N ATOM 965 CA VAL A 62 -14.398 5.735 6.829 1.00 0.00 C ATOM 966 C VAL A 62 -15.799 5.193 7.024 1.00 0.00 C ATOM 967 O VAL A 62 -16.194 4.246 6.358 1.00 0.00 O ATOM 968 CB VAL A 62 -14.192 6.132 5.351 1.00 0.00 C ATOM 969 CG1 VAL A 62 -15.144 7.252 4.956 1.00 0.00 C ATOM 970 CG2 VAL A 62 -12.747 6.549 5.108 1.00 0.00 C ATOM 0 H VAL A 62 -13.176 4.069 6.514 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.237 6.632 7.427 1.00 0.00 H new ATOM 0 HB VAL A 62 -14.411 5.263 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -14.982 7.516 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -16.173 6.919 5.091 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.960 8.124 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.619 6.826 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.503 7.402 5.741 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -12.083 5.718 5.347 1.00 0.00 H new ATOM 980 N GLY A 63 -16.541 5.795 7.937 1.00 0.00 N ATOM 981 CA GLY A 63 -17.778 5.211 8.394 1.00 0.00 C ATOM 982 C GLY A 63 -18.862 5.217 7.356 1.00 0.00 C ATOM 983 O GLY A 63 -18.602 5.446 6.175 1.00 0.00 O ATOM 0 H GLY A 63 -16.304 6.686 8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.592 4.184 8.707 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.124 5.755 9.273 1.00 0.00 H new ATOM 987 N PRO A 64 -20.107 4.990 7.767 1.00 0.00 N ATOM 988 CA PRO A 64 -21.206 4.996 6.833 1.00 0.00 C ATOM 989 C PRO A 64 -21.428 6.401 6.316 1.00 0.00 C ATOM 990 O PRO A 64 -21.803 7.314 7.052 1.00 0.00 O ATOM 991 CB PRO A 64 -22.385 4.527 7.675 1.00 0.00 C ATOM 992 CG PRO A 64 -22.034 4.952 9.045 1.00 0.00 C ATOM 993 CD PRO A 64 -20.550 4.753 9.149 1.00 0.00 C ATOM 0 HA PRO A 64 -21.044 4.368 5.957 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -23.319 4.981 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -22.516 3.447 7.613 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -22.305 5.994 9.216 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -22.564 4.359 9.790 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -20.093 5.453 9.849 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -20.297 3.750 9.491 1.00 0.00 H new ATOM 1001 N VAL A 65 -21.180 6.554 5.048 1.00 0.00 N ATOM 1002 CA VAL A 65 -21.288 7.819 4.386 1.00 0.00 C ATOM 1003 C VAL A 65 -22.305 7.724 3.251 1.00 0.00 C ATOM 1004 O VAL A 65 -22.318 6.745 2.503 1.00 0.00 O ATOM 1005 CB VAL A 65 -19.899 8.245 3.865 1.00 0.00 C ATOM 1006 CG1 VAL A 65 -18.941 8.469 5.036 1.00 0.00 C ATOM 1007 CG2 VAL A 65 -19.324 7.214 2.897 1.00 0.00 C ATOM 0 H VAL A 65 -20.892 5.790 4.436 1.00 0.00 H new ATOM 0 HA VAL A 65 -21.638 8.577 5.086 1.00 0.00 H new ATOM 0 HB VAL A 65 -20.019 9.181 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -17.965 8.769 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -19.335 9.253 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -18.840 7.545 5.605 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -18.346 7.547 2.550 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -19.222 6.255 3.405 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -19.993 7.103 2.044 1.00 0.00 H new ATOM 1017 N PRO A 66 -23.207 8.707 3.134 1.00 0.00 N ATOM 1018 CA PRO A 66 -24.267 8.669 2.139 1.00 0.00 C ATOM 1019 C PRO A 66 -23.813 9.118 0.769 1.00 0.00 C ATOM 1020 O PRO A 66 -24.092 10.232 0.311 1.00 0.00 O ATOM 1021 CB PRO A 66 -25.294 9.612 2.668 1.00 0.00 C ATOM 1022 CG PRO A 66 -24.545 10.598 3.509 1.00 0.00 C ATOM 1023 CD PRO A 66 -23.275 9.919 3.964 1.00 0.00 C ATOM 0 HA PRO A 66 -24.630 7.651 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -25.822 10.112 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -26.043 9.084 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -24.317 11.498 2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -25.144 10.908 4.365 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.404 10.557 3.812 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.310 9.675 5.026 1.00 0.00 H new ATOM 1031 N ALA A 67 -23.157 8.197 0.134 1.00 0.00 N ATOM 1032 CA ALA A 67 -22.527 8.383 -1.172 1.00 0.00 C ATOM 1033 C ALA A 67 -21.635 9.622 -1.204 1.00 0.00 C ATOM 1034 O ALA A 67 -21.322 10.226 -0.170 1.00 0.00 O ATOM 1035 CB ALA A 67 -23.561 8.466 -2.288 1.00 0.00 C ATOM 0 H ALA A 67 -23.031 7.257 0.508 1.00 0.00 H new ATOM 0 HA ALA A 67 -21.903 7.505 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -23.055 8.604 -3.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -24.142 7.544 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -24.227 9.309 -2.105 1.00 0.00 H new ATOM 1041 N GLY A 68 -21.168 9.947 -2.396 1.00 0.00 N ATOM 1042 CA GLY A 68 -20.446 11.170 -2.598 1.00 0.00 C ATOM 1043 C GLY A 68 -18.983 10.900 -2.779 1.00 0.00 C ATOM 1044 O GLY A 68 -18.414 10.055 -2.091 1.00 0.00 O ATOM 0 H GLY A 68 -21.281 9.375 -3.233 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -20.836 11.687 -3.474 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -20.596 11.831 -1.745 1.00 0.00 H new ATOM 1048 N ARG A 69 -18.382 11.548 -3.743 1.00 0.00 N ATOM 1049 CA ARG A 69 -16.965 11.451 -3.924 1.00 0.00 C ATOM 1050 C ARG A 69 -16.220 12.220 -2.847 1.00 0.00 C ATOM 1051 O ARG A 69 -16.301 13.444 -2.744 1.00 0.00 O ATOM 1052 CB ARG A 69 -16.584 11.958 -5.283 1.00 0.00 C ATOM 1053 CG ARG A 69 -15.312 11.366 -5.787 1.00 0.00 C ATOM 1054 CD ARG A 69 -15.003 11.887 -7.166 1.00 0.00 C ATOM 1055 NE ARG A 69 -14.673 13.313 -7.156 1.00 0.00 N ATOM 1056 CZ ARG A 69 -14.757 14.108 -8.221 1.00 0.00 C ATOM 1057 NH1 ARG A 69 -15.264 13.651 -9.361 1.00 0.00 N ATOM 1058 NH2 ARG A 69 -14.369 15.371 -8.130 1.00 0.00 N ATOM 0 H ARG A 69 -18.858 12.150 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 69 -16.683 10.401 -3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -17.386 11.735 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.484 13.043 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.495 11.610 -5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.393 10.279 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.169 11.325 -7.586 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.861 11.719 -7.817 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.359 13.724 -6.277 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.591 12.687 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.326 14.264 -10.174 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -14.008 15.731 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.432 15.984 -8.943 1.00 0.00 H new ATOM 1072 N HIS A 70 -15.496 11.471 -2.057 1.00 0.00 N ATOM 1073 CA HIS A 70 -14.701 12.000 -0.977 1.00 0.00 C ATOM 1074 C HIS A 70 -13.234 11.764 -1.275 1.00 0.00 C ATOM 1075 O HIS A 70 -12.798 10.624 -1.423 1.00 0.00 O ATOM 1076 CB HIS A 70 -15.046 11.320 0.348 1.00 0.00 C ATOM 1077 CG HIS A 70 -16.477 11.451 0.768 1.00 0.00 C ATOM 1078 ND1 HIS A 70 -17.545 10.665 0.509 1.00 0.00 N flip ATOM 1079 CD2 HIS A 70 -16.946 12.479 1.557 1.00 0.00 C flip ATOM 1080 CE1 HIS A 70 -18.632 11.223 1.134 1.00 0.00 C flip ATOM 1081 NE2 HIS A 70 -18.242 12.319 1.761 1.00 0.00 N flip ATOM 0 H HIS A 70 -15.441 10.456 -2.147 1.00 0.00 H new ATOM 0 HA HIS A 70 -14.911 13.066 -0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -14.800 10.261 0.271 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -14.413 11.738 1.130 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -17.544 9.812 -0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.348 13.289 1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.638 10.832 1.116 1.00 0.00 H new ATOM 1090 N MET A 71 -12.486 12.834 -1.398 1.00 0.00 N ATOM 1091 CA MET A 71 -11.049 12.726 -1.536 1.00 0.00 C ATOM 1092 C MET A 71 -10.415 12.699 -0.157 1.00 0.00 C ATOM 1093 O MET A 71 -10.317 13.722 0.526 1.00 0.00 O ATOM 1094 CB MET A 71 -10.485 13.871 -2.377 1.00 0.00 C ATOM 1095 CG MET A 71 -8.967 13.973 -2.331 1.00 0.00 C ATOM 1096 SD MET A 71 -8.377 15.643 -2.654 1.00 0.00 S ATOM 1097 CE MET A 71 -8.811 16.451 -1.112 1.00 0.00 C ATOM 0 H MET A 71 -12.845 13.789 -1.406 1.00 0.00 H new ATOM 0 HA MET A 71 -10.812 11.799 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 71 -10.800 13.740 -3.412 1.00 0.00 H new ATOM 0 HB3 MET A 71 -10.914 14.811 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.614 13.650 -1.352 1.00 0.00 H new ATOM 0 HG3 MET A 71 -8.538 13.291 -3.065 1.00 0.00 H new ATOM 0 HE1 MET A 71 -8.245 17.378 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 71 -9.878 16.675 -1.106 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.574 15.792 -0.277 1.00 0.00 H new ATOM 1107 N PHE A 72 -10.019 11.515 0.253 1.00 0.00 N ATOM 1108 CA PHE A 72 -9.429 11.309 1.549 1.00 0.00 C ATOM 1109 C PHE A 72 -7.965 10.990 1.378 1.00 0.00 C ATOM 1110 O PHE A 72 -7.579 10.129 0.590 1.00 0.00 O ATOM 1111 CB PHE A 72 -10.178 10.202 2.315 1.00 0.00 C ATOM 1112 CG PHE A 72 -9.381 8.946 2.537 1.00 0.00 C ATOM 1113 CD1 PHE A 72 -8.541 8.848 3.638 1.00 0.00 C ATOM 1114 CD2 PHE A 72 -9.451 7.870 1.650 1.00 0.00 C ATOM 1115 CE1 PHE A 72 -7.787 7.717 3.853 1.00 0.00 C ATOM 1116 CE2 PHE A 72 -8.696 6.742 1.873 1.00 0.00 C ATOM 1117 CZ PHE A 72 -7.865 6.665 2.969 1.00 0.00 C ATOM 0 H PHE A 72 -10.099 10.667 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 72 -9.515 12.217 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.490 10.595 3.283 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -11.085 9.949 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -8.478 9.670 4.335 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.099 7.923 0.788 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.136 7.655 4.713 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.755 5.912 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 72 -7.273 5.777 3.135 1.00 0.00 H new ATOM 1127 N VAL A 73 -7.153 11.716 2.093 1.00 0.00 N ATOM 1128 CA VAL A 73 -5.736 11.571 1.970 1.00 0.00 C ATOM 1129 C VAL A 73 -5.157 10.756 3.126 1.00 0.00 C ATOM 1130 O VAL A 73 -5.158 11.159 4.290 1.00 0.00 O ATOM 1131 CB VAL A 73 -5.048 12.940 1.794 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -5.757 14.036 2.568 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -3.588 12.858 2.152 1.00 0.00 C ATOM 0 H VAL A 73 -7.453 12.417 2.770 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.529 11.003 1.063 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.117 13.209 0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.239 14.983 2.415 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.785 14.124 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.758 13.790 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.125 13.836 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.485 12.546 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.095 12.133 1.505 1.00 0.00 H new ATOM 1143 N PHE A 74 -4.699 9.582 2.740 1.00 0.00 N ATOM 1144 CA PHE A 74 -4.076 8.598 3.603 1.00 0.00 C ATOM 1145 C PHE A 74 -2.691 9.069 3.994 1.00 0.00 C ATOM 1146 O PHE A 74 -2.004 9.677 3.182 1.00 0.00 O ATOM 1147 CB PHE A 74 -3.902 7.321 2.782 1.00 0.00 C ATOM 1148 CG PHE A 74 -4.361 6.034 3.391 1.00 0.00 C ATOM 1149 CD1 PHE A 74 -4.087 5.695 4.705 1.00 0.00 C ATOM 1150 CD2 PHE A 74 -5.051 5.137 2.603 1.00 0.00 C ATOM 1151 CE1 PHE A 74 -4.505 4.475 5.216 1.00 0.00 C ATOM 1152 CE2 PHE A 74 -5.461 3.926 3.094 1.00 0.00 C ATOM 1153 CZ PHE A 74 -5.193 3.585 4.407 1.00 0.00 C ATOM 0 H PHE A 74 -4.754 9.273 1.769 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.685 8.441 4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.433 7.454 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.844 7.219 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.545 6.384 5.336 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.273 5.395 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.294 4.219 6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.994 3.237 2.455 1.00 0.00 H new ATOM 0 HZ PHE A 74 -5.517 2.632 4.799 1.00 0.00 H new ATOM 1163 N GLN A 75 -2.287 8.795 5.215 1.00 0.00 N ATOM 1164 CA GLN A 75 -0.893 8.943 5.612 1.00 0.00 C ATOM 1165 C GLN A 75 -0.613 7.971 6.741 1.00 0.00 C ATOM 1166 O GLN A 75 -1.479 7.718 7.582 1.00 0.00 O ATOM 1167 CB GLN A 75 -0.519 10.351 6.076 1.00 0.00 C ATOM 1168 CG GLN A 75 -0.667 11.441 5.020 1.00 0.00 C ATOM 1169 CD GLN A 75 -0.311 12.821 5.546 1.00 0.00 C ATOM 1170 OE1 GLN A 75 0.178 13.673 4.807 1.00 0.00 O ATOM 1171 NE2 GLN A 75 -0.571 13.062 6.821 1.00 0.00 N ATOM 0 H GLN A 75 -2.904 8.466 5.958 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.291 8.740 4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.140 10.611 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.515 10.340 6.422 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.028 11.205 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.694 11.450 4.655 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.977 12.331 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.365 13.978 7.219 1.00 0.00 H new ATOM 1180 N ALA A 76 0.587 7.440 6.763 1.00 0.00 N ATOM 1181 CA ALA A 76 0.980 6.460 7.775 1.00 0.00 C ATOM 1182 C ALA A 76 2.479 6.255 7.759 1.00 0.00 C ATOM 1183 O ALA A 76 3.063 6.103 6.698 1.00 0.00 O ATOM 1184 CB ALA A 76 0.276 5.135 7.529 1.00 0.00 C ATOM 0 H ALA A 76 1.320 7.666 6.091 1.00 0.00 H new ATOM 0 HA ALA A 76 0.687 6.841 8.753 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.578 4.416 8.290 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.803 5.282 7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.547 4.756 6.544 1.00 0.00 H new ATOM 1190 N ASP A 77 3.099 6.242 8.933 1.00 0.00 N ATOM 1191 CA ASP A 77 4.543 6.078 9.035 1.00 0.00 C ATOM 1192 C ASP A 77 4.993 4.799 8.334 1.00 0.00 C ATOM 1193 O ASP A 77 4.198 3.894 8.112 1.00 0.00 O ATOM 1194 CB ASP A 77 4.992 6.096 10.503 1.00 0.00 C ATOM 1195 CG ASP A 77 4.353 5.019 11.361 1.00 0.00 C ATOM 1196 OD1 ASP A 77 3.119 5.063 11.558 1.00 0.00 O ATOM 1197 OD2 ASP A 77 5.091 4.159 11.888 1.00 0.00 O ATOM 0 H ASP A 77 2.623 6.343 9.829 1.00 0.00 H new ATOM 0 HA ASP A 77 5.019 6.919 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.075 5.981 10.542 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.760 7.071 10.931 1.00 0.00 H new ATOM 1202 N ALA A 78 6.271 4.742 7.991 1.00 0.00 N ATOM 1203 CA ALA A 78 6.803 3.739 7.101 1.00 0.00 C ATOM 1204 C ALA A 78 6.950 2.395 7.795 1.00 0.00 C ATOM 1205 O ALA A 78 6.909 2.312 9.023 1.00 0.00 O ATOM 1206 CB ALA A 78 8.138 4.220 6.559 1.00 0.00 C ATOM 0 H ALA A 78 6.971 5.402 8.331 1.00 0.00 H new ATOM 0 HA ALA A 78 6.105 3.592 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 78 8.549 3.469 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.995 5.155 6.017 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.829 4.382 7.386 1.00 0.00 H new ATOM 1212 N PRO A 79 7.128 1.321 7.013 1.00 0.00 N ATOM 1213 CA PRO A 79 7.263 -0.034 7.538 1.00 0.00 C ATOM 1214 C PRO A 79 8.451 -0.168 8.481 1.00 0.00 C ATOM 1215 O PRO A 79 9.355 0.669 8.507 1.00 0.00 O ATOM 1216 CB PRO A 79 7.482 -0.883 6.278 1.00 0.00 C ATOM 1217 CG PRO A 79 7.995 0.088 5.281 1.00 0.00 C ATOM 1218 CD PRO A 79 7.229 1.337 5.552 1.00 0.00 C ATOM 0 HA PRO A 79 6.395 -0.334 8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.196 -1.687 6.457 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.555 -1.348 5.943 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.067 0.247 5.396 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.832 -0.265 4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 79 7.751 2.222 5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 79 6.249 1.326 5.075 1.00 0.00 H new ATOM 1226 N ASN A 80 8.427 -1.240 9.239 1.00 0.00 N ATOM 1227 CA ASN A 80 9.444 -1.529 10.230 1.00 0.00 C ATOM 1228 C ASN A 80 10.760 -1.879 9.570 1.00 0.00 C ATOM 1229 O ASN A 80 10.869 -2.873 8.847 1.00 0.00 O ATOM 1230 CB ASN A 80 8.985 -2.680 11.125 1.00 0.00 C ATOM 1231 CG ASN A 80 7.867 -2.286 12.077 1.00 0.00 C ATOM 1232 OD1 ASN A 80 7.048 -1.419 11.775 1.00 0.00 O ATOM 1233 ND2 ASN A 80 7.816 -2.931 13.228 1.00 0.00 N ATOM 0 H ASN A 80 7.693 -1.946 9.186 1.00 0.00 H new ATOM 0 HA ASN A 80 9.595 -0.637 10.838 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.647 -3.506 10.499 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.835 -3.044 11.703 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.080 -2.716 13.901 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.512 -3.644 13.444 1.00 0.00 H new ATOM 1240 N PRO A 81 11.773 -1.050 9.824 1.00 0.00 N ATOM 1241 CA PRO A 81 13.117 -1.218 9.271 1.00 0.00 C ATOM 1242 C PRO A 81 13.762 -2.531 9.704 1.00 0.00 C ATOM 1243 O PRO A 81 14.673 -3.036 9.050 1.00 0.00 O ATOM 1244 CB PRO A 81 13.898 -0.027 9.828 1.00 0.00 C ATOM 1245 CG PRO A 81 13.094 0.476 10.970 1.00 0.00 C ATOM 1246 CD PRO A 81 11.670 0.135 10.678 1.00 0.00 C ATOM 0 HA PRO A 81 13.101 -1.253 8.182 1.00 0.00 H new ATOM 0 HB2 PRO A 81 14.894 -0.328 10.152 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.029 0.745 9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 81 13.418 0.016 11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.218 1.553 11.086 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.112 -0.075 11.590 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.157 0.952 10.171 1.00 0.00 H new ATOM 1254 N GLY A 82 13.282 -3.084 10.808 1.00 0.00 N ATOM 1255 CA GLY A 82 13.798 -4.344 11.286 1.00 0.00 C ATOM 1256 C GLY A 82 13.082 -5.524 10.666 1.00 0.00 C ATOM 1257 O GLY A 82 13.523 -6.664 10.797 1.00 0.00 O ATOM 0 H GLY A 82 12.542 -2.679 11.381 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.863 -4.408 11.062 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.698 -4.388 12.370 1.00 0.00 H new ATOM 1261 N LEU A 83 11.976 -5.257 9.980 1.00 0.00 N ATOM 1262 CA LEU A 83 11.215 -6.320 9.345 1.00 0.00 C ATOM 1263 C LEU A 83 11.688 -6.534 7.925 1.00 0.00 C ATOM 1264 O LEU A 83 11.640 -7.652 7.416 1.00 0.00 O ATOM 1265 CB LEU A 83 9.713 -6.017 9.351 1.00 0.00 C ATOM 1266 CG LEU A 83 9.034 -6.091 10.718 1.00 0.00 C ATOM 1267 CD1 LEU A 83 7.523 -6.009 10.572 1.00 0.00 C ATOM 1268 CD2 LEU A 83 9.433 -7.363 11.454 1.00 0.00 C ATOM 0 H LEU A 83 11.591 -4.321 9.851 1.00 0.00 H new ATOM 0 HA LEU A 83 11.381 -7.230 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.560 -5.018 8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.216 -6.717 8.679 1.00 0.00 H new ATOM 0 HG LEU A 83 9.369 -5.238 11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.059 -6.064 11.557 1.00 0.00 H new ATOM 0 HD12 LEU A 83 7.254 -5.066 10.096 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.171 -6.839 9.959 1.00 0.00 H new ATOM 0 HD21 LEU A 83 8.937 -7.393 12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.135 -8.232 10.867 1.00 0.00 H new ATOM 0 HD23 LEU A 83 10.513 -7.376 11.598 1.00 0.00 H new ATOM 1280 N ILE A 84 12.149 -5.464 7.284 1.00 0.00 N ATOM 1281 CA ILE A 84 12.599 -5.568 5.910 1.00 0.00 C ATOM 1282 C ILE A 84 13.953 -6.252 5.792 1.00 0.00 C ATOM 1283 O ILE A 84 14.934 -5.838 6.416 1.00 0.00 O ATOM 1284 CB ILE A 84 12.703 -4.206 5.231 1.00 0.00 C ATOM 1285 CG1 ILE A 84 11.354 -3.485 5.278 1.00 0.00 C ATOM 1286 CG2 ILE A 84 13.191 -4.393 3.803 1.00 0.00 C ATOM 1287 CD1 ILE A 84 11.300 -2.240 4.422 1.00 0.00 C ATOM 0 H ILE A 84 12.218 -4.531 7.691 1.00 0.00 H new ATOM 0 HA ILE A 84 11.840 -6.171 5.412 1.00 0.00 H new ATOM 0 HB ILE A 84 13.423 -3.582 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.573 -4.173 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.132 -3.215 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 84 13.267 -3.422 3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 84 14.170 -4.872 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 84 12.486 -5.020 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 84 10.314 -1.783 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.057 -1.533 4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 84 11.490 -2.505 3.382 1.00 0.00 H new ATOM 1299 N PRO A 85 14.004 -7.314 4.988 1.00 0.00 N ATOM 1300 CA PRO A 85 15.240 -7.967 4.589 1.00 0.00 C ATOM 1301 C PRO A 85 15.957 -7.207 3.468 1.00 0.00 C ATOM 1302 O PRO A 85 15.367 -6.351 2.813 1.00 0.00 O ATOM 1303 CB PRO A 85 14.770 -9.332 4.103 1.00 0.00 C ATOM 1304 CG PRO A 85 13.403 -9.084 3.570 1.00 0.00 C ATOM 1305 CD PRO A 85 12.826 -7.965 4.393 1.00 0.00 C ATOM 0 HA PRO A 85 15.964 -8.018 5.402 1.00 0.00 H new ATOM 0 HB2 PRO A 85 15.431 -9.729 3.333 1.00 0.00 H new ATOM 0 HB3 PRO A 85 14.754 -10.059 4.915 1.00 0.00 H new ATOM 0 HG2 PRO A 85 13.440 -8.812 2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 85 12.787 -9.980 3.646 1.00 0.00 H new ATOM 0 HD2 PRO A 85 12.255 -7.270 3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 85 12.149 -8.342 5.160 1.00 0.00 H new ATOM 1313 N ASP A 86 17.224 -7.517 3.271 1.00 0.00 N ATOM 1314 CA ASP A 86 18.071 -6.862 2.266 1.00 0.00 C ATOM 1315 C ASP A 86 17.391 -6.695 0.910 1.00 0.00 C ATOM 1316 O ASP A 86 17.257 -5.572 0.413 1.00 0.00 O ATOM 1317 CB ASP A 86 19.343 -7.683 2.074 1.00 0.00 C ATOM 1318 CG ASP A 86 20.151 -7.241 0.871 1.00 0.00 C ATOM 1319 OD1 ASP A 86 20.656 -6.105 0.869 1.00 0.00 O ATOM 1320 OD2 ASP A 86 20.282 -8.040 -0.082 1.00 0.00 O ATOM 0 H ASP A 86 17.709 -8.238 3.805 1.00 0.00 H new ATOM 0 HA ASP A 86 18.287 -5.862 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.960 -7.604 2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 86 19.078 -8.734 1.962 1.00 0.00 H new ATOM 1325 N ALA A 87 16.914 -7.792 0.343 1.00 0.00 N ATOM 1326 CA ALA A 87 16.458 -7.799 -1.047 1.00 0.00 C ATOM 1327 C ALA A 87 15.170 -7.010 -1.204 1.00 0.00 C ATOM 1328 O ALA A 87 14.770 -6.655 -2.312 1.00 0.00 O ATOM 1329 CB ALA A 87 16.267 -9.225 -1.533 1.00 0.00 C ATOM 0 H ALA A 87 16.831 -8.690 0.819 1.00 0.00 H new ATOM 0 HA ALA A 87 17.224 -7.319 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 87 15.928 -9.214 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 87 17.213 -9.762 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 87 15.523 -9.724 -0.913 1.00 0.00 H new ATOM 1335 N ASP A 88 14.552 -6.722 -0.078 1.00 0.00 N ATOM 1336 CA ASP A 88 13.268 -6.048 -0.043 1.00 0.00 C ATOM 1337 C ASP A 88 13.453 -4.547 0.192 1.00 0.00 C ATOM 1338 O ASP A 88 12.630 -3.733 -0.219 1.00 0.00 O ATOM 1339 CB ASP A 88 12.419 -6.700 1.064 1.00 0.00 C ATOM 1340 CG ASP A 88 11.044 -6.096 1.242 1.00 0.00 C ATOM 1341 OD1 ASP A 88 10.923 -5.073 1.934 1.00 0.00 O ATOM 1342 OD2 ASP A 88 10.076 -6.691 0.732 1.00 0.00 O ATOM 0 H ASP A 88 14.926 -6.949 0.843 1.00 0.00 H new ATOM 0 HA ASP A 88 12.755 -6.152 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.309 -7.761 0.842 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.959 -6.626 2.008 1.00 0.00 H new ATOM 1347 N ALA A 89 14.578 -4.188 0.805 1.00 0.00 N ATOM 1348 CA ALA A 89 14.821 -2.812 1.223 1.00 0.00 C ATOM 1349 C ALA A 89 15.483 -1.968 0.146 1.00 0.00 C ATOM 1350 O ALA A 89 15.096 -0.840 -0.085 1.00 0.00 O ATOM 1351 CB ALA A 89 15.688 -2.791 2.466 1.00 0.00 C ATOM 0 H ALA A 89 15.337 -4.834 1.023 1.00 0.00 H new ATOM 0 HA ALA A 89 13.843 -2.377 1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 89 15.864 -1.759 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.183 -3.325 3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.642 -3.274 2.253 1.00 0.00 H new ATOM 1357 N VAL A 90 16.509 -2.497 -0.483 1.00 0.00 N ATOM 1358 CA VAL A 90 17.331 -1.708 -1.378 1.00 0.00 C ATOM 1359 C VAL A 90 17.003 -1.947 -2.845 1.00 0.00 C ATOM 1360 O VAL A 90 17.888 -2.203 -3.667 1.00 0.00 O ATOM 1361 CB VAL A 90 18.826 -1.869 -1.083 1.00 0.00 C ATOM 1362 CG1 VAL A 90 19.199 -0.830 -0.053 1.00 0.00 C ATOM 1363 CG2 VAL A 90 19.191 -3.262 -0.585 1.00 0.00 C ATOM 0 H VAL A 90 16.796 -3.472 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 90 17.082 -0.666 -1.180 1.00 0.00 H new ATOM 0 HB VAL A 90 19.382 -1.732 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.260 -0.915 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 90 18.994 0.165 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 90 18.613 -0.988 0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 90 20.263 -3.311 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.649 -3.473 0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 90 18.923 -4.000 -1.341 1.00 0.00 H new ATOM 1373 N GLY A 91 15.718 -1.883 -3.159 1.00 0.00 N ATOM 1374 CA GLY A 91 15.240 -2.328 -4.444 1.00 0.00 C ATOM 1375 C GLY A 91 13.762 -2.117 -4.608 1.00 0.00 C ATOM 1376 O GLY A 91 13.240 -1.033 -4.361 1.00 0.00 O ATOM 0 H GLY A 91 14.993 -1.526 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 91 15.771 -1.793 -5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.469 -3.386 -4.568 1.00 0.00 H new ATOM 1380 N VAL A 92 13.096 -3.172 -5.005 1.00 0.00 N ATOM 1381 CA VAL A 92 11.702 -3.113 -5.373 1.00 0.00 C ATOM 1382 C VAL A 92 10.824 -3.818 -4.353 1.00 0.00 C ATOM 1383 O VAL A 92 11.107 -4.940 -3.936 1.00 0.00 O ATOM 1384 CB VAL A 92 11.489 -3.762 -6.739 1.00 0.00 C ATOM 1385 CG1 VAL A 92 10.088 -3.535 -7.220 1.00 0.00 C ATOM 1386 CG2 VAL A 92 12.479 -3.253 -7.751 1.00 0.00 C ATOM 0 H VAL A 92 13.507 -4.102 -5.083 1.00 0.00 H new ATOM 0 HA VAL A 92 11.421 -2.061 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 92 11.650 -4.834 -6.623 1.00 0.00 H new ATOM 0 HG11 VAL A 92 9.957 -4.005 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 92 9.385 -3.970 -6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 92 9.902 -2.464 -7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.298 -3.736 -8.711 1.00 0.00 H new ATOM 0 HG22 VAL A 92 12.366 -2.174 -7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.491 -3.479 -7.416 1.00 0.00 H new ATOM 1396 N THR A 93 9.753 -3.147 -3.988 1.00 0.00 N ATOM 1397 CA THR A 93 8.814 -3.622 -3.018 1.00 0.00 C ATOM 1398 C THR A 93 7.425 -3.174 -3.457 1.00 0.00 C ATOM 1399 O THR A 93 7.312 -2.435 -4.429 1.00 0.00 O ATOM 1400 CB THR A 93 9.154 -3.053 -1.643 1.00 0.00 C ATOM 1401 OG1 THR A 93 10.493 -2.535 -1.639 1.00 0.00 O ATOM 1402 CG2 THR A 93 9.043 -4.127 -0.602 1.00 0.00 C ATOM 0 H THR A 93 9.513 -2.233 -4.373 1.00 0.00 H new ATOM 0 HA THR A 93 8.849 -4.709 -2.947 1.00 0.00 H new ATOM 0 HB THR A 93 8.452 -2.250 -1.418 1.00 0.00 H new ATOM 0 HG1 THR A 93 11.059 -3.097 -1.070 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.287 -3.712 0.376 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.025 -4.516 -0.587 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.736 -4.935 -0.837 1.00 0.00 H new ATOM 1410 N VAL A 94 6.371 -3.657 -2.821 1.00 0.00 N ATOM 1411 CA VAL A 94 5.031 -3.196 -3.163 1.00 0.00 C ATOM 1412 C VAL A 94 4.247 -2.779 -1.929 1.00 0.00 C ATOM 1413 O VAL A 94 4.396 -3.362 -0.856 1.00 0.00 O ATOM 1414 CB VAL A 94 4.233 -4.242 -3.988 1.00 0.00 C ATOM 1415 CG1 VAL A 94 2.752 -4.034 -3.835 1.00 0.00 C ATOM 1416 CG2 VAL A 94 4.530 -4.055 -5.447 1.00 0.00 C ATOM 0 H VAL A 94 6.411 -4.355 -2.078 1.00 0.00 H new ATOM 0 HA VAL A 94 5.166 -2.318 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 94 4.521 -5.230 -3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 94 2.217 -4.780 -4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.477 -4.134 -2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.486 -3.037 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 94 3.971 -4.788 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.238 -3.050 -5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.597 -4.191 -5.621 1.00 0.00 H new ATOM 1426 N VAL A 95 3.413 -1.761 -2.092 1.00 0.00 N ATOM 1427 CA VAL A 95 2.601 -1.274 -1.024 1.00 0.00 C ATOM 1428 C VAL A 95 1.176 -1.126 -1.546 1.00 0.00 C ATOM 1429 O VAL A 95 0.885 -0.275 -2.390 1.00 0.00 O ATOM 1430 CB VAL A 95 3.170 0.055 -0.471 1.00 0.00 C ATOM 1431 CG1 VAL A 95 3.302 1.111 -1.560 1.00 0.00 C ATOM 1432 CG2 VAL A 95 2.325 0.559 0.672 1.00 0.00 C ATOM 0 H VAL A 95 3.292 -1.261 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 95 2.599 -1.974 -0.189 1.00 0.00 H new ATOM 0 HB VAL A 95 4.173 -0.147 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.705 2.028 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.974 0.749 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.322 1.313 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.741 1.494 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.306 0.729 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.316 -0.181 1.472 1.00 0.00 H new ATOM 1442 N LEU A 96 0.301 -2.006 -1.095 1.00 0.00 N ATOM 1443 CA LEU A 96 -1.042 -2.059 -1.631 1.00 0.00 C ATOM 1444 C LEU A 96 -2.049 -1.515 -0.642 1.00 0.00 C ATOM 1445 O LEU A 96 -1.875 -1.644 0.565 1.00 0.00 O ATOM 1446 CB LEU A 96 -1.443 -3.474 -2.087 1.00 0.00 C ATOM 1447 CG LEU A 96 -1.048 -4.643 -1.195 1.00 0.00 C ATOM 1448 CD1 LEU A 96 -2.045 -4.767 -0.080 1.00 0.00 C ATOM 1449 CD2 LEU A 96 -1.006 -5.933 -2.005 1.00 0.00 C ATOM 0 H LEU A 96 0.497 -2.689 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.044 -1.423 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.526 -3.494 -2.206 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.011 -3.644 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.056 -4.464 -0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.769 -5.602 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.054 -3.847 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.037 -4.942 -0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.722 -6.761 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.990 -6.127 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.275 -5.835 -2.808 1.00 0.00 H new ATOM 1461 N ILE A 97 -3.097 -0.898 -1.152 1.00 0.00 N ATOM 1462 CA ILE A 97 -4.165 -0.423 -0.306 1.00 0.00 C ATOM 1463 C ILE A 97 -5.419 -1.178 -0.621 1.00 0.00 C ATOM 1464 O ILE A 97 -6.035 -0.991 -1.671 1.00 0.00 O ATOM 1465 CB ILE A 97 -4.425 1.083 -0.440 1.00 0.00 C ATOM 1466 CG1 ILE A 97 -3.149 1.835 -0.143 1.00 0.00 C ATOM 1467 CG2 ILE A 97 -5.512 1.538 0.527 1.00 0.00 C ATOM 1468 CD1 ILE A 97 -3.336 3.328 -0.141 1.00 0.00 C ATOM 0 H ILE A 97 -3.228 -0.716 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 97 -3.854 -0.596 0.724 1.00 0.00 H new ATOM 0 HB ILE A 97 -4.759 1.288 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.766 1.521 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.396 1.569 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.677 2.609 0.411 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.437 1.003 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.200 1.327 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.385 3.814 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.692 3.651 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.067 3.602 0.620 1.00 0.00 H new ATOM 1480 N THR A 98 -5.752 -2.063 0.271 1.00 0.00 N ATOM 1481 CA THR A 98 -6.929 -2.862 0.138 1.00 0.00 C ATOM 1482 C THR A 98 -8.032 -2.301 0.998 1.00 0.00 C ATOM 1483 O THR A 98 -7.908 -2.208 2.221 1.00 0.00 O ATOM 1484 CB THR A 98 -6.677 -4.332 0.506 1.00 0.00 C ATOM 1485 OG1 THR A 98 -6.150 -4.436 1.834 1.00 0.00 O ATOM 1486 CG2 THR A 98 -5.713 -4.975 -0.472 1.00 0.00 C ATOM 0 H THR A 98 -5.211 -2.250 1.115 1.00 0.00 H new ATOM 0 HA THR A 98 -7.226 -2.832 -0.910 1.00 0.00 H new ATOM 0 HB THR A 98 -7.632 -4.855 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.562 -5.199 2.291 1.00 0.00 H new ATOM 0 HG21 THR A 98 -5.550 -6.015 -0.191 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.132 -4.932 -1.477 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.763 -4.440 -0.451 1.00 0.00 H new ATOM 1494 N CYS A 99 -9.089 -1.871 0.352 1.00 0.00 N ATOM 1495 CA CYS A 99 -10.265 -1.456 1.080 1.00 0.00 C ATOM 1496 C CYS A 99 -11.077 -2.678 1.447 1.00 0.00 C ATOM 1497 O CYS A 99 -11.454 -3.461 0.591 1.00 0.00 O ATOM 1498 CB CYS A 99 -11.097 -0.482 0.266 1.00 0.00 C ATOM 1499 SG CYS A 99 -10.215 1.013 -0.211 1.00 0.00 S ATOM 0 H CYS A 99 -9.160 -1.799 -0.663 1.00 0.00 H new ATOM 0 HA CYS A 99 -9.957 -0.939 1.989 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -11.451 -0.986 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -11.979 -0.203 0.843 1.00 0.00 H new ATOM 0 HG CYS A 99 -10.057 1.774 0.831 1.00 0.00 H new ATOM 1505 N THR A 100 -11.318 -2.832 2.722 1.00 0.00 N ATOM 1506 CA THR A 100 -11.990 -3.979 3.263 1.00 0.00 C ATOM 1507 C THR A 100 -13.326 -3.546 3.824 1.00 0.00 C ATOM 1508 O THR A 100 -13.391 -2.680 4.687 1.00 0.00 O ATOM 1509 CB THR A 100 -11.144 -4.611 4.387 1.00 0.00 C ATOM 1510 OG1 THR A 100 -9.813 -4.855 3.913 1.00 0.00 O ATOM 1511 CG2 THR A 100 -11.759 -5.913 4.876 1.00 0.00 C ATOM 0 H THR A 100 -11.046 -2.147 3.427 1.00 0.00 H new ATOM 0 HA THR A 100 -12.136 -4.717 2.474 1.00 0.00 H new ATOM 0 HB THR A 100 -11.116 -3.912 5.223 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.278 -5.255 4.630 1.00 0.00 H new ATOM 0 HG21 THR A 100 -11.139 -6.333 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 100 -12.760 -5.720 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 100 -11.820 -6.620 4.049 1.00 0.00 H new ATOM 1519 N TYR A 101 -14.395 -4.099 3.311 1.00 0.00 N ATOM 1520 CA TYR A 101 -15.696 -3.783 3.847 1.00 0.00 C ATOM 1521 C TYR A 101 -16.383 -5.067 4.286 1.00 0.00 C ATOM 1522 O TYR A 101 -16.591 -5.986 3.492 1.00 0.00 O ATOM 1523 CB TYR A 101 -16.514 -2.985 2.826 1.00 0.00 C ATOM 1524 CG TYR A 101 -17.820 -2.430 3.351 1.00 0.00 C ATOM 1525 CD1 TYR A 101 -17.847 -1.243 4.074 1.00 0.00 C ATOM 1526 CD2 TYR A 101 -19.024 -3.074 3.106 1.00 0.00 C ATOM 1527 CE1 TYR A 101 -19.037 -0.717 4.539 1.00 0.00 C ATOM 1528 CE2 TYR A 101 -20.218 -2.551 3.564 1.00 0.00 C ATOM 1529 CZ TYR A 101 -20.219 -1.374 4.281 1.00 0.00 C ATOM 1530 OH TYR A 101 -21.409 -0.847 4.733 1.00 0.00 O ATOM 0 H TYR A 101 -14.393 -4.761 2.535 1.00 0.00 H new ATOM 0 HA TYR A 101 -15.598 -3.146 4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -15.905 -2.158 2.461 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.726 -3.627 1.971 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -16.922 -0.723 4.276 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -19.028 -3.999 2.548 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -19.040 0.205 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -21.147 -3.063 3.361 1.00 0.00 H new ATOM 0 HH TYR A 101 -22.148 -1.432 4.466 1.00 0.00 H new ATOM 1540 N ARG A 102 -16.646 -5.135 5.583 1.00 0.00 N ATOM 1541 CA ARG A 102 -17.308 -6.273 6.217 1.00 0.00 C ATOM 1542 C ARG A 102 -16.463 -7.540 6.166 1.00 0.00 C ATOM 1543 O ARG A 102 -16.984 -8.654 6.245 1.00 0.00 O ATOM 1544 CB ARG A 102 -18.672 -6.511 5.596 1.00 0.00 C ATOM 1545 CG ARG A 102 -19.537 -5.281 5.665 1.00 0.00 C ATOM 1546 CD ARG A 102 -21.008 -5.627 5.647 1.00 0.00 C ATOM 1547 NE ARG A 102 -21.585 -5.543 6.988 1.00 0.00 N ATOM 1548 CZ ARG A 102 -22.886 -5.605 7.252 1.00 0.00 C ATOM 1549 NH1 ARG A 102 -23.749 -5.852 6.278 1.00 0.00 N ATOM 1550 NH2 ARG A 102 -23.318 -5.433 8.494 1.00 0.00 N ATOM 0 H ARG A 102 -16.403 -4.391 6.237 1.00 0.00 H new ATOM 0 HA ARG A 102 -17.439 -6.021 7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -18.551 -6.813 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -19.168 -7.334 6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -19.306 -4.725 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.307 -4.627 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -21.536 -4.948 4.977 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -21.143 -6.634 5.252 1.00 0.00 H new ATOM 0 HE ARG A 102 -20.945 -5.429 7.774 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.415 -5.995 5.325 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -24.747 -5.900 6.481 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -22.652 -5.253 9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -24.316 -5.480 8.698 1.00 0.00 H new ATOM 1564 N GLY A 103 -15.159 -7.364 6.041 1.00 0.00 N ATOM 1565 CA GLY A 103 -14.252 -8.491 6.118 1.00 0.00 C ATOM 1566 C GLY A 103 -13.772 -8.954 4.760 1.00 0.00 C ATOM 1567 O GLY A 103 -12.911 -9.829 4.663 1.00 0.00 O ATOM 0 H GLY A 103 -14.710 -6.461 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -13.391 -8.217 6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.751 -9.318 6.623 1.00 0.00 H new ATOM 1571 N GLN A 104 -14.320 -8.375 3.706 1.00 0.00 N ATOM 1572 CA GLN A 104 -13.850 -8.681 2.367 1.00 0.00 C ATOM 1573 C GLN A 104 -13.147 -7.473 1.777 1.00 0.00 C ATOM 1574 O GLN A 104 -13.655 -6.356 1.853 1.00 0.00 O ATOM 1575 CB GLN A 104 -14.994 -9.096 1.445 1.00 0.00 C ATOM 1576 CG GLN A 104 -15.841 -10.251 1.961 1.00 0.00 C ATOM 1577 CD GLN A 104 -17.034 -9.831 2.812 1.00 0.00 C ATOM 1578 OE1 GLN A 104 -17.667 -8.703 2.494 1.00 0.00 O flip ATOM 1579 NE2 GLN A 104 -17.416 -10.545 3.734 1.00 0.00 N flip ATOM 0 H GLN A 104 -15.082 -7.698 3.750 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.156 -9.518 2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -15.641 -8.234 1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.579 -9.372 0.476 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.203 -10.827 1.110 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.207 -10.915 2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -16.913 -11.404 3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -18.237 -10.280 4.278 1.00 0.00 H new ATOM 1588 N GLU A 105 -11.977 -7.691 1.206 1.00 0.00 N ATOM 1589 CA GLU A 105 -11.264 -6.623 0.532 1.00 0.00 C ATOM 1590 C GLU A 105 -11.805 -6.489 -0.883 1.00 0.00 C ATOM 1591 O GLU A 105 -11.937 -7.482 -1.594 1.00 0.00 O ATOM 1592 CB GLU A 105 -9.764 -6.902 0.509 1.00 0.00 C ATOM 1593 CG GLU A 105 -9.213 -7.303 1.866 1.00 0.00 C ATOM 1594 CD GLU A 105 -7.698 -7.285 1.905 1.00 0.00 C ATOM 1595 OE1 GLU A 105 -7.066 -7.774 0.946 1.00 0.00 O ATOM 1596 OE2 GLU A 105 -7.128 -6.783 2.897 1.00 0.00 O ATOM 0 H GLU A 105 -11.502 -8.594 1.195 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.416 -5.689 1.072 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.559 -7.696 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.240 -6.013 0.159 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.601 -6.626 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.568 -8.302 2.118 1.00 0.00 H new ATOM 1603 N PHE A 106 -12.144 -5.276 -1.276 1.00 0.00 N ATOM 1604 CA PHE A 106 -12.797 -5.051 -2.550 1.00 0.00 C ATOM 1605 C PHE A 106 -11.969 -4.175 -3.473 1.00 0.00 C ATOM 1606 O PHE A 106 -12.412 -3.837 -4.564 1.00 0.00 O ATOM 1607 CB PHE A 106 -14.175 -4.428 -2.334 1.00 0.00 C ATOM 1608 CG PHE A 106 -14.161 -3.133 -1.575 1.00 0.00 C ATOM 1609 CD1 PHE A 106 -13.986 -1.917 -2.218 1.00 0.00 C ATOM 1610 CD2 PHE A 106 -14.357 -3.137 -0.209 1.00 0.00 C ATOM 1611 CE1 PHE A 106 -13.999 -0.738 -1.502 1.00 0.00 C ATOM 1612 CE2 PHE A 106 -14.376 -1.969 0.508 1.00 0.00 C ATOM 1613 CZ PHE A 106 -14.197 -0.771 -0.135 1.00 0.00 C ATOM 0 H PHE A 106 -11.977 -4.431 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.907 -6.022 -3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -14.640 -4.260 -3.305 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -14.802 -5.141 -1.799 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -13.838 -1.893 -3.288 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -14.498 -4.077 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -13.855 0.206 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -14.532 -1.992 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 106 -14.211 0.150 0.429 1.00 0.00 H new ATOM 1623 N ILE A 107 -10.790 -3.764 -3.041 1.00 0.00 N ATOM 1624 CA ILE A 107 -9.910 -3.048 -3.921 1.00 0.00 C ATOM 1625 C ILE A 107 -8.510 -3.182 -3.398 1.00 0.00 C ATOM 1626 O ILE A 107 -8.313 -3.421 -2.212 1.00 0.00 O ATOM 1627 CB ILE A 107 -10.306 -1.575 -4.103 1.00 0.00 C ATOM 1628 CG1 ILE A 107 -9.591 -0.977 -5.314 1.00 0.00 C ATOM 1629 CG2 ILE A 107 -10.004 -0.770 -2.852 1.00 0.00 C ATOM 1630 CD1 ILE A 107 -9.898 0.486 -5.519 1.00 0.00 C ATOM 0 H ILE A 107 -10.431 -3.915 -2.098 1.00 0.00 H new ATOM 0 HA ILE A 107 -9.984 -3.486 -4.916 1.00 0.00 H new ATOM 0 HB ILE A 107 -11.381 -1.532 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.515 -1.103 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.877 -1.531 -6.208 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.294 0.269 -3.009 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.564 -1.180 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.937 -0.820 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -9.360 0.851 -6.394 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -10.970 0.615 -5.671 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.586 1.050 -4.640 1.00 0.00 H new ATOM 1642 N ARG A 108 -7.555 -3.051 -4.271 1.00 0.00 N ATOM 1643 CA ARG A 108 -6.182 -3.246 -3.918 1.00 0.00 C ATOM 1644 C ARG A 108 -5.323 -2.386 -4.821 1.00 0.00 C ATOM 1645 O ARG A 108 -5.273 -2.621 -6.024 1.00 0.00 O ATOM 1646 CB ARG A 108 -5.842 -4.728 -4.094 1.00 0.00 C ATOM 1647 CG ARG A 108 -4.472 -5.135 -3.588 1.00 0.00 C ATOM 1648 CD ARG A 108 -3.375 -4.773 -4.563 1.00 0.00 C ATOM 1649 NE ARG A 108 -3.639 -5.271 -5.911 1.00 0.00 N ATOM 1650 CZ ARG A 108 -2.706 -5.356 -6.848 1.00 0.00 C ATOM 1651 NH1 ARG A 108 -1.470 -4.963 -6.579 1.00 0.00 N ATOM 1652 NH2 ARG A 108 -3.006 -5.815 -8.054 1.00 0.00 N ATOM 0 H ARG A 108 -7.708 -2.806 -5.249 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.998 -2.961 -2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.595 -5.322 -3.577 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.911 -4.978 -5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.281 -4.650 -2.631 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.457 -6.210 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.264 -3.689 -4.595 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.428 -5.180 -4.208 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.587 -5.568 -6.142 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.241 -4.597 -5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.747 -5.026 -7.296 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.960 -6.106 -8.266 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.283 -5.878 -8.770 1.00 0.00 H new ATOM 1666 N VAL A 109 -4.661 -1.389 -4.275 1.00 0.00 N ATOM 1667 CA VAL A 109 -3.767 -0.591 -5.092 1.00 0.00 C ATOM 1668 C VAL A 109 -2.315 -0.969 -4.788 1.00 0.00 C ATOM 1669 O VAL A 109 -1.737 -0.581 -3.789 1.00 0.00 O ATOM 1670 CB VAL A 109 -4.041 0.940 -4.940 1.00 0.00 C ATOM 1671 CG1 VAL A 109 -3.332 1.572 -3.747 1.00 0.00 C ATOM 1672 CG2 VAL A 109 -3.694 1.664 -6.237 1.00 0.00 C ATOM 0 H VAL A 109 -4.720 -1.115 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.958 -0.814 -6.142 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.106 1.051 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -3.568 2.635 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -3.665 1.089 -2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.255 1.444 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -3.888 2.730 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.640 1.510 -6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.305 1.270 -7.049 1.00 0.00 H new ATOM 1682 N GLY A 110 -1.743 -1.784 -5.647 1.00 0.00 N ATOM 1683 CA GLY A 110 -0.387 -2.241 -5.442 1.00 0.00 C ATOM 1684 C GLY A 110 0.602 -1.376 -6.135 1.00 0.00 C ATOM 1685 O GLY A 110 0.978 -1.624 -7.279 1.00 0.00 O ATOM 0 H GLY A 110 -2.193 -2.142 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.168 -2.259 -4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.291 -3.264 -5.804 1.00 0.00 H new ATOM 1689 N TYR A 111 1.000 -0.349 -5.441 1.00 0.00 N ATOM 1690 CA TYR A 111 2.081 0.482 -5.900 1.00 0.00 C ATOM 1691 C TYR A 111 3.351 -0.233 -5.661 1.00 0.00 C ATOM 1692 O TYR A 111 3.487 -0.978 -4.700 1.00 0.00 O ATOM 1693 CB TYR A 111 2.161 1.810 -5.171 1.00 0.00 C ATOM 1694 CG TYR A 111 1.036 2.710 -5.512 1.00 0.00 C ATOM 1695 CD1 TYR A 111 1.129 3.554 -6.599 1.00 0.00 C ATOM 1696 CD2 TYR A 111 -0.116 2.705 -4.764 1.00 0.00 C ATOM 1697 CE1 TYR A 111 0.091 4.380 -6.940 1.00 0.00 C ATOM 1698 CE2 TYR A 111 -1.167 3.530 -5.098 1.00 0.00 C ATOM 1699 CZ TYR A 111 -1.056 4.363 -6.187 1.00 0.00 C ATOM 1700 OH TYR A 111 -2.096 5.174 -6.528 1.00 0.00 O ATOM 0 H TYR A 111 0.592 -0.064 -4.551 1.00 0.00 H new ATOM 0 HA TYR A 111 1.904 0.687 -6.956 1.00 0.00 H new ATOM 0 HB2 TYR A 111 2.167 1.631 -4.096 1.00 0.00 H new ATOM 0 HB3 TYR A 111 3.103 2.301 -5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 111 2.033 3.564 -7.190 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -0.198 2.050 -3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 111 0.174 5.038 -7.793 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.072 3.523 -4.509 1.00 0.00 H new ATOM 0 HH TYR A 111 -1.971 5.498 -7.444 1.00 0.00 H new ATOM 1710 N TYR A 112 4.274 -0.024 -6.525 1.00 0.00 N ATOM 1711 CA TYR A 112 5.589 -0.459 -6.247 1.00 0.00 C ATOM 1712 C TYR A 112 6.251 0.596 -5.396 1.00 0.00 C ATOM 1713 O TYR A 112 6.165 1.778 -5.702 1.00 0.00 O ATOM 1714 CB TYR A 112 6.376 -0.639 -7.533 1.00 0.00 C ATOM 1715 CG TYR A 112 6.223 -1.984 -8.175 1.00 0.00 C ATOM 1716 CD1 TYR A 112 4.982 -2.492 -8.531 1.00 0.00 C ATOM 1717 CD2 TYR A 112 7.340 -2.746 -8.414 1.00 0.00 C ATOM 1718 CE1 TYR A 112 4.872 -3.737 -9.115 1.00 0.00 C ATOM 1719 CE2 TYR A 112 7.257 -3.983 -8.992 1.00 0.00 C ATOM 1720 CZ TYR A 112 6.015 -4.483 -9.345 1.00 0.00 C ATOM 1721 OH TYR A 112 5.914 -5.726 -9.928 1.00 0.00 O ATOM 0 H TYR A 112 4.145 0.442 -7.423 1.00 0.00 H new ATOM 0 HA TYR A 112 5.561 -1.418 -5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.064 0.126 -8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.432 -0.469 -7.324 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.093 -1.907 -8.349 1.00 0.00 H new ATOM 0 HD2 TYR A 112 8.310 -2.358 -8.138 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.903 -4.126 -9.390 1.00 0.00 H new ATOM 0 HE2 TYR A 112 8.150 -4.563 -9.171 1.00 0.00 H new ATOM 0 HH TYR A 112 6.808 -6.117 -10.021 1.00 0.00 H new ATOM 1731 N VAL A 113 6.890 0.199 -4.332 1.00 0.00 N ATOM 1732 CA VAL A 113 7.686 1.137 -3.597 1.00 0.00 C ATOM 1733 C VAL A 113 9.125 0.768 -3.842 1.00 0.00 C ATOM 1734 O VAL A 113 9.606 -0.274 -3.415 1.00 0.00 O ATOM 1735 CB VAL A 113 7.346 1.207 -2.076 1.00 0.00 C ATOM 1736 CG1 VAL A 113 7.390 -0.153 -1.392 1.00 0.00 C ATOM 1737 CG2 VAL A 113 8.277 2.182 -1.369 1.00 0.00 C ATOM 0 H VAL A 113 6.876 -0.751 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 113 7.471 2.146 -3.950 1.00 0.00 H new ATOM 0 HB VAL A 113 6.318 1.563 -2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.145 -0.037 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.667 -0.820 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.390 -0.576 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.027 2.220 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.309 1.851 -1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.163 3.175 -1.804 1.00 0.00 H new ATOM 1747 N ASN A 114 9.788 1.608 -4.592 1.00 0.00 N ATOM 1748 CA ASN A 114 11.158 1.344 -4.960 1.00 0.00 C ATOM 1749 C ASN A 114 12.075 2.095 -4.028 1.00 0.00 C ATOM 1750 O ASN A 114 12.166 3.323 -4.077 1.00 0.00 O ATOM 1751 CB ASN A 114 11.413 1.729 -6.415 1.00 0.00 C ATOM 1752 CG ASN A 114 12.595 0.979 -6.977 1.00 0.00 C ATOM 1753 OD1 ASN A 114 12.348 -0.263 -7.358 1.00 0.00 O flip ATOM 1754 ND2 ASN A 114 13.711 1.494 -7.044 1.00 0.00 N flip ATOM 0 H ASN A 114 9.405 2.479 -4.960 1.00 0.00 H new ATOM 0 HA ASN A 114 11.357 0.276 -4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.526 1.515 -7.012 1.00 0.00 H new ATOM 0 HB3 ASN A 114 11.593 2.802 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.848 2.457 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 114 14.499 0.958 -7.407 1.00 0.00 H new ATOM 1761 N ASN A 115 12.737 1.360 -3.162 1.00 0.00 N ATOM 1762 CA ASN A 115 13.515 1.964 -2.125 1.00 0.00 C ATOM 1763 C ASN A 115 14.955 2.027 -2.558 1.00 0.00 C ATOM 1764 O ASN A 115 15.635 1.009 -2.673 1.00 0.00 O ATOM 1765 CB ASN A 115 13.386 1.183 -0.826 1.00 0.00 C ATOM 1766 CG ASN A 115 11.960 1.076 -0.325 1.00 0.00 C ATOM 1767 OD1 ASN A 115 11.459 1.962 0.375 1.00 0.00 O ATOM 1768 ND2 ASN A 115 11.301 -0.019 -0.660 1.00 0.00 N ATOM 0 H ASN A 115 12.746 0.340 -3.163 1.00 0.00 H new ATOM 0 HA ASN A 115 13.145 2.973 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 115 13.788 0.180 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 115 13.997 1.662 -0.061 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.343 -0.156 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 115 11.751 -0.727 -1.240 1.00 0.00 H new ATOM 1775 N GLU A 116 15.410 3.225 -2.804 1.00 0.00 N ATOM 1776 CA GLU A 116 16.758 3.439 -3.252 1.00 0.00 C ATOM 1777 C GLU A 116 17.386 4.467 -2.352 1.00 0.00 C ATOM 1778 O GLU A 116 16.757 5.456 -2.008 1.00 0.00 O ATOM 1779 CB GLU A 116 16.806 3.895 -4.716 1.00 0.00 C ATOM 1780 CG GLU A 116 16.161 5.248 -4.972 1.00 0.00 C ATOM 1781 CD GLU A 116 16.398 5.744 -6.382 1.00 0.00 C ATOM 1782 OE1 GLU A 116 17.533 6.159 -6.688 1.00 0.00 O ATOM 1783 OE2 GLU A 116 15.445 5.735 -7.190 1.00 0.00 O ATOM 0 H GLU A 116 14.859 4.077 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 116 17.310 2.501 -3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 116 17.847 3.935 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.310 3.146 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 116 15.089 5.176 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 116 16.556 5.975 -4.263 1.00 0.00 H new ATOM 1790 N TYR A 117 18.590 4.182 -1.918 1.00 0.00 N ATOM 1791 CA TYR A 117 19.362 5.099 -1.091 1.00 0.00 C ATOM 1792 C TYR A 117 19.291 6.552 -1.550 1.00 0.00 C ATOM 1793 O TYR A 117 19.027 6.851 -2.712 1.00 0.00 O ATOM 1794 CB TYR A 117 20.796 4.655 -1.092 1.00 0.00 C ATOM 1795 CG TYR A 117 21.053 3.499 -0.172 1.00 0.00 C ATOM 1796 CD1 TYR A 117 20.948 3.664 1.193 1.00 0.00 C ATOM 1797 CD2 TYR A 117 21.434 2.262 -0.658 1.00 0.00 C ATOM 1798 CE1 TYR A 117 21.214 2.635 2.052 1.00 0.00 C ATOM 1799 CE2 TYR A 117 21.711 1.222 0.196 1.00 0.00 C ATOM 1800 CZ TYR A 117 21.599 1.412 1.550 1.00 0.00 C ATOM 1801 OH TYR A 117 21.883 0.383 2.406 1.00 0.00 O ATOM 0 H TYR A 117 19.070 3.306 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 117 18.927 5.068 -0.092 1.00 0.00 H new ATOM 0 HB2 TYR A 117 21.083 4.376 -2.106 1.00 0.00 H new ATOM 0 HB3 TYR A 117 21.430 5.492 -0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 117 20.650 4.623 1.590 1.00 0.00 H new ATOM 0 HD2 TYR A 117 21.515 2.111 -1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 117 21.123 2.780 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 117 22.015 0.262 -0.196 1.00 0.00 H new ATOM 0 HH TYR A 117 22.615 0.646 3.002 1.00 0.00 H new ATOM 1811 N THR A 118 19.564 7.449 -0.612 1.00 0.00 N ATOM 1812 CA THR A 118 19.498 8.872 -0.866 1.00 0.00 C ATOM 1813 C THR A 118 20.877 9.386 -1.210 1.00 0.00 C ATOM 1814 O THR A 118 21.036 10.330 -1.987 1.00 0.00 O ATOM 1815 CB THR A 118 18.970 9.634 0.367 1.00 0.00 C ATOM 1816 OG1 THR A 118 19.766 9.310 1.517 1.00 0.00 O ATOM 1817 CG2 THR A 118 17.512 9.298 0.645 1.00 0.00 C ATOM 0 H THR A 118 19.836 7.207 0.341 1.00 0.00 H new ATOM 0 HA THR A 118 18.813 9.038 -1.697 1.00 0.00 H new ATOM 0 HB THR A 118 19.040 10.701 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 118 19.428 9.798 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 118 17.171 9.852 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 118 16.905 9.573 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 118 17.414 8.229 0.832 1.00 0.00 H new ATOM 1825 N GLU A 119 21.878 8.737 -0.633 1.00 0.00 N ATOM 1826 CA GLU A 119 23.248 9.134 -0.826 1.00 0.00 C ATOM 1827 C GLU A 119 23.797 8.476 -2.083 1.00 0.00 C ATOM 1828 O GLU A 119 23.647 7.264 -2.233 1.00 0.00 O ATOM 1829 CB GLU A 119 24.059 8.723 0.390 1.00 0.00 C ATOM 1830 CG GLU A 119 23.396 9.135 1.681 1.00 0.00 C ATOM 1831 CD GLU A 119 23.643 10.580 2.058 1.00 0.00 C ATOM 1832 OE1 GLU A 119 23.091 11.478 1.392 1.00 0.00 O ATOM 1833 OE2 GLU A 119 24.374 10.824 3.036 1.00 0.00 O ATOM 0 H GLU A 119 21.756 7.928 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 119 23.311 10.216 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 119 24.198 7.642 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 119 25.050 9.172 0.333 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.322 8.969 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 119 23.755 8.493 2.485 1.00 0.00 H new ATOM 1840 N THR A 120 24.394 9.252 -2.988 1.00 0.00 N ATOM 1841 CA THR A 120 24.801 8.721 -4.293 1.00 0.00 C ATOM 1842 C THR A 120 25.569 7.415 -4.158 1.00 0.00 C ATOM 1843 O THR A 120 25.244 6.439 -4.833 1.00 0.00 O ATOM 1844 CB THR A 120 25.664 9.713 -5.086 1.00 0.00 C ATOM 1845 OG1 THR A 120 24.928 10.921 -5.309 1.00 0.00 O ATOM 1846 CG2 THR A 120 26.088 9.107 -6.422 1.00 0.00 C ATOM 0 H THR A 120 24.606 10.240 -2.846 1.00 0.00 H new ATOM 0 HA THR A 120 23.873 8.545 -4.836 1.00 0.00 H new ATOM 0 HB THR A 120 26.561 9.937 -4.508 1.00 0.00 H new ATOM 0 HG1 THR A 120 25.482 11.553 -5.814 1.00 0.00 H new ATOM 0 HG21 THR A 120 26.699 9.825 -6.970 1.00 0.00 H new ATOM 0 HG22 THR A 120 26.666 8.200 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 120 25.202 8.863 -7.008 1.00 0.00 H new ATOM 1854 N GLU A 121 26.528 7.398 -3.233 1.00 0.00 N ATOM 1855 CA GLU A 121 27.417 6.251 -3.026 1.00 0.00 C ATOM 1856 C GLU A 121 26.603 4.993 -2.816 1.00 0.00 C ATOM 1857 O GLU A 121 26.933 3.913 -3.294 1.00 0.00 O ATOM 1858 CB GLU A 121 28.290 6.498 -1.793 1.00 0.00 C ATOM 1859 CG GLU A 121 29.192 5.335 -1.423 1.00 0.00 C ATOM 1860 CD GLU A 121 29.691 5.422 0.003 1.00 0.00 C ATOM 1861 OE1 GLU A 121 30.369 6.413 0.343 1.00 0.00 O ATOM 1862 OE2 GLU A 121 29.408 4.500 0.796 1.00 0.00 O ATOM 0 H GLU A 121 26.712 8.180 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 121 28.047 6.128 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 121 28.907 7.379 -1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 121 27.644 6.726 -0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 121 28.648 4.400 -1.558 1.00 0.00 H new ATOM 0 HG3 GLU A 121 30.044 5.309 -2.102 1.00 0.00 H new ATOM 1869 N LEU A 122 25.512 5.170 -2.126 1.00 0.00 N ATOM 1870 CA LEU A 122 24.674 4.078 -1.725 1.00 0.00 C ATOM 1871 C LEU A 122 23.696 3.701 -2.841 1.00 0.00 C ATOM 1872 O LEU A 122 23.231 2.569 -2.911 1.00 0.00 O ATOM 1873 CB LEU A 122 23.927 4.504 -0.477 1.00 0.00 C ATOM 1874 CG LEU A 122 24.791 5.065 0.656 1.00 0.00 C ATOM 1875 CD1 LEU A 122 23.933 5.432 1.852 1.00 0.00 C ATOM 1876 CD2 LEU A 122 25.861 4.070 1.063 1.00 0.00 C ATOM 0 H LEU A 122 25.177 6.085 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 122 25.280 3.196 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.192 5.259 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 122 23.374 3.645 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 122 25.281 5.967 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.566 5.829 2.646 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.203 6.187 1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 122 23.412 4.545 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 122 26.462 4.491 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 122 25.390 3.149 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 122 26.501 3.854 0.208 1.00 0.00 H new ATOM 1888 N ARG A 123 23.393 4.654 -3.719 1.00 0.00 N ATOM 1889 CA ARG A 123 22.464 4.417 -4.822 1.00 0.00 C ATOM 1890 C ARG A 123 23.187 3.662 -5.909 1.00 0.00 C ATOM 1891 O ARG A 123 22.651 2.743 -6.532 1.00 0.00 O ATOM 1892 CB ARG A 123 21.955 5.738 -5.408 1.00 0.00 C ATOM 1893 CG ARG A 123 21.431 6.715 -4.380 1.00 0.00 C ATOM 1894 CD ARG A 123 20.955 8.011 -5.023 1.00 0.00 C ATOM 1895 NE ARG A 123 19.885 7.789 -5.996 1.00 0.00 N ATOM 1896 CZ ARG A 123 19.649 8.582 -7.042 1.00 0.00 C ATOM 1897 NH1 ARG A 123 20.359 9.691 -7.225 1.00 0.00 N ATOM 1898 NH2 ARG A 123 18.680 8.277 -7.892 1.00 0.00 N ATOM 0 H ARG A 123 23.777 5.598 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 123 21.614 3.849 -4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 123 22.765 6.212 -5.962 1.00 0.00 H new ATOM 0 HB3 ARG A 123 21.162 5.522 -6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 123 20.608 6.258 -3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 123 22.215 6.935 -3.655 1.00 0.00 H new ATOM 0 HD2 ARG A 123 20.602 8.690 -4.247 1.00 0.00 H new ATOM 0 HD3 ARG A 123 21.796 8.499 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 123 19.282 6.977 -5.866 1.00 0.00 H new ATOM 0 HH11 ARG A 123 21.092 9.942 -6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 123 20.170 10.291 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 123 18.118 7.439 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 123 18.496 8.881 -8.693 1.00 0.00 H new ATOM 1912 N GLU A 124 24.424 4.077 -6.110 1.00 0.00 N ATOM 1913 CA GLU A 124 25.268 3.527 -7.144 1.00 0.00 C ATOM 1914 C GLU A 124 25.740 2.140 -6.776 1.00 0.00 C ATOM 1915 O GLU A 124 25.982 1.295 -7.641 1.00 0.00 O ATOM 1916 CB GLU A 124 26.434 4.460 -7.398 1.00 0.00 C ATOM 1917 CG GLU A 124 27.225 4.812 -6.181 1.00 0.00 C ATOM 1918 CD GLU A 124 28.417 5.693 -6.494 1.00 0.00 C ATOM 1919 OE1 GLU A 124 29.319 5.238 -7.227 1.00 0.00 O ATOM 1920 OE2 GLU A 124 28.459 6.849 -6.022 1.00 0.00 O ATOM 0 H GLU A 124 24.870 4.808 -5.556 1.00 0.00 H new ATOM 0 HA GLU A 124 24.690 3.436 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 124 27.100 3.998 -8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 124 26.056 5.378 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 124 26.578 5.323 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 124 27.571 3.897 -5.700 1.00 0.00 H new ATOM 1927 N ASN A 125 25.866 1.919 -5.485 1.00 0.00 N ATOM 1928 CA ASN A 125 26.211 0.603 -4.968 1.00 0.00 C ATOM 1929 C ASN A 125 25.687 0.419 -3.549 1.00 0.00 C ATOM 1930 O ASN A 125 26.356 0.761 -2.577 1.00 0.00 O ATOM 1931 CB ASN A 125 27.728 0.361 -5.036 1.00 0.00 C ATOM 1932 CG ASN A 125 28.551 1.554 -4.587 1.00 0.00 C ATOM 1933 OD1 ASN A 125 28.864 2.432 -5.529 1.00 0.00 O flip ATOM 1934 ND2 ASN A 125 28.914 1.681 -3.419 1.00 0.00 N flip ATOM 0 H ASN A 125 25.735 2.633 -4.769 1.00 0.00 H new ATOM 0 HA ASN A 125 25.728 -0.142 -5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 125 27.979 -0.498 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 125 28.002 0.105 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 125 28.651 0.982 -2.724 1.00 0.00 H new ATOM 0 HD22 ASN A 125 29.478 2.486 -3.145 1.00 0.00 H new ATOM 1941 N PRO A 126 24.456 -0.111 -3.421 1.00 0.00 N ATOM 1942 CA PRO A 126 23.858 -0.425 -2.125 1.00 0.00 C ATOM 1943 C PRO A 126 24.740 -1.354 -1.319 1.00 0.00 C ATOM 1944 O PRO A 126 25.035 -2.474 -1.743 1.00 0.00 O ATOM 1945 CB PRO A 126 22.534 -1.126 -2.469 1.00 0.00 C ATOM 1946 CG PRO A 126 22.671 -1.498 -3.913 1.00 0.00 C ATOM 1947 CD PRO A 126 23.548 -0.440 -4.523 1.00 0.00 C ATOM 0 HA PRO A 126 23.721 0.471 -1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 126 22.377 -2.006 -1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 126 21.682 -0.466 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 126 23.116 -2.487 -4.022 1.00 0.00 H new ATOM 0 HG3 PRO A 126 21.698 -1.531 -4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 126 24.086 -0.811 -5.395 1.00 0.00 H new ATOM 0 HD3 PRO A 126 22.973 0.427 -4.848 1.00 0.00 H new ATOM 1955 N PRO A 127 25.199 -0.887 -0.164 1.00 0.00 N ATOM 1956 CA PRO A 127 25.976 -1.706 0.754 1.00 0.00 C ATOM 1957 C PRO A 127 25.168 -2.923 1.187 1.00 0.00 C ATOM 1958 O PRO A 127 23.933 -2.892 1.196 1.00 0.00 O ATOM 1959 CB PRO A 127 26.251 -0.761 1.931 1.00 0.00 C ATOM 1960 CG PRO A 127 26.084 0.607 1.359 1.00 0.00 C ATOM 1961 CD PRO A 127 25.002 0.477 0.339 1.00 0.00 C ATOM 0 HA PRO A 127 26.894 -2.100 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 127 25.555 -0.936 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 127 27.255 -0.905 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 127 25.812 1.326 2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 127 27.011 0.960 0.907 1.00 0.00 H new ATOM 0 HD2 PRO A 127 24.013 0.608 0.778 1.00 0.00 H new ATOM 0 HD3 PRO A 127 25.100 1.219 -0.453 1.00 0.00 H new ATOM 1969 N VAL A 128 25.892 -3.994 1.501 1.00 0.00 N ATOM 1970 CA VAL A 128 25.322 -5.318 1.745 1.00 0.00 C ATOM 1971 C VAL A 128 24.144 -5.271 2.710 1.00 0.00 C ATOM 1972 O VAL A 128 23.249 -6.114 2.638 1.00 0.00 O ATOM 1973 CB VAL A 128 26.397 -6.303 2.269 1.00 0.00 C ATOM 1974 CG1 VAL A 128 26.920 -5.877 3.632 1.00 0.00 C ATOM 1975 CG2 VAL A 128 25.857 -7.725 2.325 1.00 0.00 C ATOM 0 H VAL A 128 26.907 -3.967 1.595 1.00 0.00 H new ATOM 0 HA VAL A 128 24.951 -5.677 0.785 1.00 0.00 H new ATOM 0 HB VAL A 128 27.230 -6.281 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 128 27.672 -6.589 3.972 1.00 0.00 H new ATOM 0 HG12 VAL A 128 27.366 -4.885 3.557 1.00 0.00 H new ATOM 0 HG13 VAL A 128 26.097 -5.851 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 128 26.633 -8.394 2.696 1.00 0.00 H new ATOM 0 HG22 VAL A 128 24.996 -7.761 2.993 1.00 0.00 H new ATOM 0 HG23 VAL A 128 25.555 -8.039 1.326 1.00 0.00 H new ATOM 1985 N LYS A 129 24.147 -4.300 3.614 1.00 0.00 N ATOM 1986 CA LYS A 129 23.017 -4.096 4.478 1.00 0.00 C ATOM 1987 C LYS A 129 22.366 -2.744 4.307 1.00 0.00 C ATOM 1988 O LYS A 129 22.934 -1.696 4.620 1.00 0.00 O ATOM 1989 CB LYS A 129 23.359 -4.342 5.906 1.00 0.00 C ATOM 1990 CG LYS A 129 23.086 -5.776 6.226 1.00 0.00 C ATOM 1991 CD LYS A 129 21.809 -5.955 7.012 1.00 0.00 C ATOM 1992 CE LYS A 129 20.591 -5.422 6.280 1.00 0.00 C ATOM 1993 NZ LYS A 129 19.353 -5.566 7.088 1.00 0.00 N ATOM 0 H LYS A 129 24.920 -3.650 3.759 1.00 0.00 H new ATOM 0 HA LYS A 129 22.280 -4.837 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 129 24.408 -4.107 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 129 22.770 -3.692 6.553 1.00 0.00 H new ATOM 0 HG2 LYS A 129 23.023 -6.347 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 129 23.921 -6.184 6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 129 21.664 -7.014 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 129 21.903 -5.446 7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 129 20.745 -4.371 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 129 20.473 -5.954 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.544 -5.191 6.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 19.192 -6.571 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 19.456 -5.037 7.978 1.00 0.00 H new ATOM 2007 N PRO A 130 21.160 -2.802 3.758 1.00 0.00 N ATOM 2008 CA PRO A 130 20.262 -1.672 3.576 1.00 0.00 C ATOM 2009 C PRO A 130 20.170 -0.762 4.794 1.00 0.00 C ATOM 2010 O PRO A 130 20.121 -1.226 5.936 1.00 0.00 O ATOM 2011 CB PRO A 130 18.901 -2.315 3.332 1.00 0.00 C ATOM 2012 CG PRO A 130 19.130 -3.781 3.186 1.00 0.00 C ATOM 2013 CD PRO A 130 20.612 -4.028 3.209 1.00 0.00 C ATOM 0 HA PRO A 130 20.618 -1.035 2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 130 18.224 -2.111 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 130 18.437 -1.906 2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 130 18.641 -4.325 3.994 1.00 0.00 H new ATOM 0 HG3 PRO A 130 18.699 -4.142 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 130 20.864 -4.890 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 130 21.000 -4.227 2.210 1.00 0.00 H new ATOM 2021 N ASP A 131 20.128 0.533 4.533 1.00 0.00 N ATOM 2022 CA ASP A 131 19.926 1.518 5.583 1.00 0.00 C ATOM 2023 C ASP A 131 18.668 2.306 5.281 1.00 0.00 C ATOM 2024 O ASP A 131 18.583 3.002 4.271 1.00 0.00 O ATOM 2025 CB ASP A 131 21.120 2.465 5.713 1.00 0.00 C ATOM 2026 CG ASP A 131 21.045 3.301 6.973 1.00 0.00 C ATOM 2027 OD1 ASP A 131 20.232 4.245 7.021 1.00 0.00 O ATOM 2028 OD2 ASP A 131 21.799 3.015 7.924 1.00 0.00 O ATOM 0 H ASP A 131 20.232 0.929 3.599 1.00 0.00 H new ATOM 0 HA ASP A 131 19.825 0.994 6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 131 22.043 1.886 5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 131 21.159 3.122 4.844 1.00 0.00 H new ATOM 2033 N PHE A 132 17.697 2.182 6.162 1.00 0.00 N ATOM 2034 CA PHE A 132 16.358 2.700 5.929 1.00 0.00 C ATOM 2035 C PHE A 132 16.301 4.207 6.182 1.00 0.00 C ATOM 2036 O PHE A 132 15.388 4.902 5.750 1.00 0.00 O ATOM 2037 CB PHE A 132 15.381 1.928 6.818 1.00 0.00 C ATOM 2038 CG PHE A 132 15.506 0.437 6.628 1.00 0.00 C ATOM 2039 CD1 PHE A 132 16.515 -0.270 7.264 1.00 0.00 C ATOM 2040 CD2 PHE A 132 14.646 -0.248 5.788 1.00 0.00 C ATOM 2041 CE1 PHE A 132 16.667 -1.625 7.061 1.00 0.00 C ATOM 2042 CE2 PHE A 132 14.789 -1.606 5.590 1.00 0.00 C ATOM 2043 CZ PHE A 132 15.804 -2.296 6.221 1.00 0.00 C ATOM 0 H PHE A 132 17.811 1.718 7.063 1.00 0.00 H new ATOM 0 HA PHE A 132 16.076 2.556 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 132 15.566 2.178 7.863 1.00 0.00 H new ATOM 0 HB3 PHE A 132 14.361 2.239 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 132 17.191 0.248 7.928 1.00 0.00 H new ATOM 0 HD2 PHE A 132 13.855 0.286 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 132 17.461 -2.160 7.560 1.00 0.00 H new ATOM 0 HE2 PHE A 132 14.105 -2.130 4.939 1.00 0.00 H new ATOM 0 HZ PHE A 132 15.922 -3.357 6.057 1.00 0.00 H new ATOM 2053 N SER A 133 17.309 4.695 6.861 1.00 0.00 N ATOM 2054 CA SER A 133 17.457 6.119 7.124 1.00 0.00 C ATOM 2055 C SER A 133 18.105 6.814 5.931 1.00 0.00 C ATOM 2056 O SER A 133 17.919 8.012 5.715 1.00 0.00 O ATOM 2057 CB SER A 133 18.298 6.332 8.369 1.00 0.00 C ATOM 2058 OG SER A 133 17.863 5.498 9.427 1.00 0.00 O ATOM 0 H SER A 133 18.056 4.121 7.251 1.00 0.00 H new ATOM 0 HA SER A 133 16.469 6.550 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 133 19.344 6.124 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 133 18.239 7.376 8.677 1.00 0.00 H new ATOM 0 HG SER A 133 16.896 5.355 9.354 1.00 0.00 H new ATOM 2064 N LYS A 134 18.856 6.048 5.152 1.00 0.00 N ATOM 2065 CA LYS A 134 19.476 6.551 3.938 1.00 0.00 C ATOM 2066 C LYS A 134 18.665 6.103 2.769 1.00 0.00 C ATOM 2067 O LYS A 134 19.116 6.129 1.640 1.00 0.00 O ATOM 2068 CB LYS A 134 20.878 6.002 3.765 1.00 0.00 C ATOM 2069 CG LYS A 134 21.883 6.521 4.761 1.00 0.00 C ATOM 2070 CD LYS A 134 22.180 8.004 4.578 1.00 0.00 C ATOM 2071 CE LYS A 134 23.225 8.475 5.578 1.00 0.00 C ATOM 2072 NZ LYS A 134 23.567 9.914 5.416 1.00 0.00 N ATOM 0 H LYS A 134 19.051 5.065 5.344 1.00 0.00 H new ATOM 0 HA LYS A 134 19.525 7.638 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 134 20.840 4.915 3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 134 21.226 6.240 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 134 21.509 6.351 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 134 22.809 5.955 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 134 22.534 8.186 3.563 1.00 0.00 H new ATOM 0 HD3 LYS A 134 21.264 8.581 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 134 22.857 8.305 6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 134 24.128 7.876 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 24.163 10.221 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 24.083 10.050 4.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 22.694 10.479 5.400 1.00 0.00 H new ATOM 2086 N LEU A 135 17.485 5.641 3.059 1.00 0.00 N ATOM 2087 CA LEU A 135 16.651 5.051 2.063 1.00 0.00 C ATOM 2088 C LEU A 135 15.643 6.072 1.563 1.00 0.00 C ATOM 2089 O LEU A 135 15.205 6.940 2.314 1.00 0.00 O ATOM 2090 CB LEU A 135 15.990 3.829 2.681 1.00 0.00 C ATOM 2091 CG LEU A 135 15.285 2.898 1.722 1.00 0.00 C ATOM 2092 CD1 LEU A 135 16.286 2.335 0.722 1.00 0.00 C ATOM 2093 CD2 LEU A 135 14.592 1.777 2.483 1.00 0.00 C ATOM 0 H LEU A 135 17.077 5.664 3.993 1.00 0.00 H new ATOM 0 HA LEU A 135 17.227 4.735 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 135 16.752 3.260 3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 135 15.268 4.168 3.423 1.00 0.00 H new ATOM 0 HG LEU A 135 14.524 3.456 1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 135 15.773 1.664 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 135 16.740 3.153 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 135 17.062 1.785 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 135 14.089 1.115 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 135 15.331 1.210 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 135 13.859 2.202 3.168 1.00 0.00 H new ATOM 2105 N GLN A 136 15.332 5.996 0.284 1.00 0.00 N ATOM 2106 CA GLN A 136 14.393 6.907 -0.348 1.00 0.00 C ATOM 2107 C GLN A 136 13.304 6.096 -1.027 1.00 0.00 C ATOM 2108 O GLN A 136 13.598 5.212 -1.833 1.00 0.00 O ATOM 2109 CB GLN A 136 15.119 7.765 -1.384 1.00 0.00 C ATOM 2110 CG GLN A 136 14.580 9.172 -1.509 1.00 0.00 C ATOM 2111 CD GLN A 136 15.012 9.842 -2.796 1.00 0.00 C ATOM 2112 OE1 GLN A 136 14.244 9.618 -3.848 1.00 0.00 O flip ATOM 2113 NE2 GLN A 136 16.036 10.520 -2.855 1.00 0.00 N flip ATOM 0 H GLN A 136 15.724 5.299 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 136 13.953 7.561 0.404 1.00 0.00 H new ATOM 0 HB2 GLN A 136 16.176 7.814 -1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 136 15.054 7.275 -2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 136 13.491 9.147 -1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 136 14.921 9.766 -0.661 1.00 0.00 H new ATOM 0 HE21 GLN A 136 16.599 10.667 -2.017 1.00 0.00 H new ATOM 0 HE22 GLN A 136 16.322 10.935 -3.742 1.00 0.00 H new ATOM 2122 N ARG A 137 12.056 6.380 -0.704 1.00 0.00 N ATOM 2123 CA ARG A 137 10.956 5.633 -1.275 1.00 0.00 C ATOM 2124 C ARG A 137 10.472 6.304 -2.543 1.00 0.00 C ATOM 2125 O ARG A 137 9.789 7.325 -2.477 1.00 0.00 O ATOM 2126 CB ARG A 137 9.788 5.549 -0.293 1.00 0.00 C ATOM 2127 CG ARG A 137 10.205 5.321 1.143 1.00 0.00 C ATOM 2128 CD ARG A 137 9.021 4.964 2.031 1.00 0.00 C ATOM 2129 NE ARG A 137 7.894 5.895 1.897 1.00 0.00 N ATOM 2130 CZ ARG A 137 6.736 5.575 1.357 1.00 0.00 C ATOM 2131 NH1 ARG A 137 6.574 4.398 0.769 1.00 0.00 N ATOM 2132 NH2 ARG A 137 5.743 6.438 1.400 1.00 0.00 N ATOM 0 H ARG A 137 11.782 7.117 -0.054 1.00 0.00 H new ATOM 0 HA ARG A 137 11.316 4.628 -1.497 1.00 0.00 H new ATOM 0 HB2 ARG A 137 9.211 6.472 -0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 137 9.126 4.740 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 137 10.943 4.520 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 137 10.688 6.219 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 137 8.683 3.957 1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 137 9.348 4.947 3.071 1.00 0.00 H new ATOM 0 HE ARG A 137 8.015 6.847 2.243 1.00 0.00 H new ATOM 0 HH11 ARG A 137 7.348 3.735 0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 137 5.675 4.155 0.352 1.00 0.00 H new ATOM 0 HH21 ARG A 137 5.874 7.345 1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 137 4.842 6.200 0.985 1.00 0.00 H new ATOM 2146 N ASN A 138 10.821 5.733 -3.686 1.00 0.00 N ATOM 2147 CA ASN A 138 10.258 6.162 -4.950 1.00 0.00 C ATOM 2148 C ASN A 138 9.016 5.347 -5.185 1.00 0.00 C ATOM 2149 O ASN A 138 9.047 4.247 -5.737 1.00 0.00 O ATOM 2150 CB ASN A 138 11.270 6.023 -6.103 1.00 0.00 C ATOM 2151 CG ASN A 138 10.771 6.546 -7.453 1.00 0.00 C ATOM 2152 OD1 ASN A 138 9.513 6.308 -7.789 1.00 0.00 O flip ATOM 2153 ND2 ASN A 138 11.541 7.126 -8.217 1.00 0.00 N flip ATOM 0 H ASN A 138 11.493 4.970 -3.760 1.00 0.00 H new ATOM 0 HA ASN A 138 10.007 7.222 -4.913 1.00 0.00 H new ATOM 0 HB2 ASN A 138 12.182 6.557 -5.835 1.00 0.00 H new ATOM 0 HB3 ASN A 138 11.536 4.972 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 138 12.506 7.298 -7.935 1.00 0.00 H new ATOM 0 HD22 ASN A 138 11.214 7.435 -9.132 1.00 0.00 H new ATOM 2160 N ILE A 139 7.934 5.900 -4.715 1.00 0.00 N ATOM 2161 CA ILE A 139 6.645 5.296 -4.823 1.00 0.00 C ATOM 2162 C ILE A 139 6.188 5.365 -6.274 1.00 0.00 C ATOM 2163 O ILE A 139 6.034 6.445 -6.836 1.00 0.00 O ATOM 2164 CB ILE A 139 5.708 6.047 -3.864 1.00 0.00 C ATOM 2165 CG1 ILE A 139 5.991 5.623 -2.427 1.00 0.00 C ATOM 2166 CG2 ILE A 139 4.253 5.847 -4.196 1.00 0.00 C ATOM 2167 CD1 ILE A 139 5.068 4.543 -1.930 1.00 0.00 C ATOM 0 H ILE A 139 7.928 6.801 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 139 6.653 4.242 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 139 5.910 7.112 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 139 7.021 5.272 -2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 139 5.905 6.493 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 139 3.638 6.400 -3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 139 4.057 6.209 -5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 139 4.009 4.786 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 139 5.325 4.289 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 139 4.038 4.898 -1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 139 5.171 3.658 -2.558 1.00 0.00 H new ATOM 2179 N LEU A 140 6.038 4.212 -6.900 1.00 0.00 N ATOM 2180 CA LEU A 140 5.741 4.162 -8.319 1.00 0.00 C ATOM 2181 C LEU A 140 4.278 4.442 -8.571 1.00 0.00 C ATOM 2182 O LEU A 140 3.487 3.547 -8.864 1.00 0.00 O ATOM 2183 CB LEU A 140 6.141 2.823 -8.930 1.00 0.00 C ATOM 2184 CG LEU A 140 7.648 2.557 -8.973 1.00 0.00 C ATOM 2185 CD1 LEU A 140 7.949 1.295 -9.761 1.00 0.00 C ATOM 2186 CD2 LEU A 140 8.382 3.743 -9.577 1.00 0.00 C ATOM 0 H LEU A 140 6.117 3.300 -6.449 1.00 0.00 H new ATOM 0 HA LEU A 140 6.333 4.939 -8.804 1.00 0.00 H new ATOM 0 HB2 LEU A 140 5.662 2.024 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 140 5.749 2.772 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 140 7.997 2.416 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 140 9.026 1.125 -9.779 1.00 0.00 H new ATOM 0 HD12 LEU A 140 7.455 0.445 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 140 7.583 1.407 -10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 140 9.452 3.536 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 140 8.024 3.914 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 140 8.197 4.631 -8.973 1.00 0.00 H new ATOM 2198 N ALA A 141 3.938 5.704 -8.450 1.00 0.00 N ATOM 2199 CA ALA A 141 2.606 6.180 -8.746 1.00 0.00 C ATOM 2200 C ALA A 141 2.380 6.151 -10.248 1.00 0.00 C ATOM 2201 O ALA A 141 1.251 6.145 -10.732 1.00 0.00 O ATOM 2202 CB ALA A 141 2.449 7.577 -8.190 1.00 0.00 C ATOM 0 H ALA A 141 4.581 6.434 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 141 1.859 5.537 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 141 1.447 7.945 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 141 2.602 7.558 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 141 3.186 8.236 -8.649 1.00 0.00 H new ATOM 2208 N SER A 142 3.489 6.122 -10.974 1.00 0.00 N ATOM 2209 CA SER A 142 3.482 5.968 -12.417 1.00 0.00 C ATOM 2210 C SER A 142 3.137 4.532 -12.806 1.00 0.00 C ATOM 2211 O SER A 142 2.850 4.242 -13.968 1.00 0.00 O ATOM 2212 CB SER A 142 4.859 6.351 -12.960 1.00 0.00 C ATOM 2213 OG SER A 142 5.891 5.853 -12.116 1.00 0.00 O ATOM 0 H SER A 142 4.423 6.205 -10.573 1.00 0.00 H new ATOM 0 HA SER A 142 2.722 6.621 -12.847 1.00 0.00 H new ATOM 0 HB2 SER A 142 4.982 5.952 -13.967 1.00 0.00 H new ATOM 0 HB3 SER A 142 4.936 7.436 -13.036 1.00 0.00 H new ATOM 0 HG SER A 142 6.764 6.107 -12.482 1.00 0.00 H new ATOM 2219 N ASN A 143 3.151 3.640 -11.822 1.00 0.00 N ATOM 2220 CA ASN A 143 2.899 2.227 -12.068 1.00 0.00 C ATOM 2221 C ASN A 143 2.035 1.630 -10.951 1.00 0.00 C ATOM 2222 O ASN A 143 2.505 0.795 -10.177 1.00 0.00 O ATOM 2223 CB ASN A 143 4.233 1.468 -12.152 1.00 0.00 C ATOM 2224 CG ASN A 143 4.082 0.048 -12.677 1.00 0.00 C ATOM 2225 OD1 ASN A 143 3.204 -0.238 -13.495 1.00 0.00 O ATOM 2226 ND2 ASN A 143 4.939 -0.852 -12.211 1.00 0.00 N ATOM 0 H ASN A 143 3.335 3.872 -10.846 1.00 0.00 H new ATOM 0 HA ASN A 143 2.364 2.129 -13.013 1.00 0.00 H new ATOM 0 HB2 ASN A 143 4.916 2.017 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 143 4.689 1.436 -11.162 1.00 0.00 H new ATOM 0 HD21 ASN A 143 4.885 -1.820 -12.529 1.00 0.00 H new ATOM 0 HD22 ASN A 143 5.651 -0.576 -11.535 1.00 0.00 H new ATOM 2233 N PRO A 144 0.758 2.050 -10.829 1.00 0.00 N ATOM 2234 CA PRO A 144 -0.128 1.519 -9.810 1.00 0.00 C ATOM 2235 C PRO A 144 -0.848 0.266 -10.285 1.00 0.00 C ATOM 2236 O PRO A 144 -1.758 0.325 -11.116 1.00 0.00 O ATOM 2237 CB PRO A 144 -1.122 2.656 -9.582 1.00 0.00 C ATOM 2238 CG PRO A 144 -1.176 3.401 -10.876 1.00 0.00 C ATOM 2239 CD PRO A 144 0.077 3.057 -11.660 1.00 0.00 C ATOM 0 HA PRO A 144 0.407 1.220 -8.909 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -2.104 2.270 -9.309 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -0.797 3.305 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -2.067 3.125 -11.439 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -1.232 4.475 -10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -0.166 2.661 -12.646 1.00 0.00 H new ATOM 0 HD3 PRO A 144 0.704 3.935 -11.815 1.00 0.00 H new ATOM 2247 N ARG A 145 -0.419 -0.868 -9.771 1.00 0.00 N ATOM 2248 CA ARG A 145 -1.065 -2.129 -10.058 1.00 0.00 C ATOM 2249 C ARG A 145 -2.364 -2.229 -9.262 1.00 0.00 C ATOM 2250 O ARG A 145 -2.382 -2.721 -8.140 1.00 0.00 O ATOM 2251 CB ARG A 145 -0.115 -3.268 -9.709 1.00 0.00 C ATOM 2252 CG ARG A 145 -0.668 -4.640 -10.007 1.00 0.00 C ATOM 2253 CD ARG A 145 -1.055 -4.791 -11.460 1.00 0.00 C ATOM 2254 NE ARG A 145 -1.532 -6.141 -11.759 1.00 0.00 N ATOM 2255 CZ ARG A 145 -0.981 -6.949 -12.664 1.00 0.00 C ATOM 2256 NH1 ARG A 145 0.062 -6.551 -13.382 1.00 0.00 N ATOM 2257 NH2 ARG A 145 -1.489 -8.159 -12.851 1.00 0.00 N ATOM 0 H ARG A 145 0.384 -0.940 -9.146 1.00 0.00 H new ATOM 0 HA ARG A 145 -1.310 -2.195 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 145 0.815 -3.134 -10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 145 0.133 -3.209 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 145 0.076 -5.394 -9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -1.539 -4.824 -9.379 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -1.833 -4.068 -11.706 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -0.196 -4.561 -12.090 1.00 0.00 H new ATOM 0 HE ARG A 145 -2.340 -6.487 -11.241 1.00 0.00 H new ATOM 0 HH11 ARG A 145 0.450 -5.618 -13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 145 0.475 -7.178 -14.072 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -2.294 -8.464 -12.305 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -1.074 -8.785 -13.541 1.00 0.00 H new ATOM 2271 N VAL A 146 -3.443 -1.737 -9.839 1.00 0.00 N ATOM 2272 CA VAL A 146 -4.721 -1.681 -9.143 1.00 0.00 C ATOM 2273 C VAL A 146 -5.593 -2.898 -9.474 1.00 0.00 C ATOM 2274 O VAL A 146 -5.651 -3.354 -10.615 1.00 0.00 O ATOM 2275 CB VAL A 146 -5.465 -0.362 -9.467 1.00 0.00 C ATOM 2276 CG1 VAL A 146 -5.637 -0.182 -10.967 1.00 0.00 C ATOM 2277 CG2 VAL A 146 -6.808 -0.295 -8.751 1.00 0.00 C ATOM 0 H VAL A 146 -3.464 -1.369 -10.790 1.00 0.00 H new ATOM 0 HA VAL A 146 -4.518 -1.704 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 146 -4.851 0.461 -9.100 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.163 0.753 -11.163 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -4.658 -0.155 -11.445 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -6.214 -1.014 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.306 0.642 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -7.431 -1.131 -9.067 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -6.649 -0.348 -7.674 1.00 0.00 H new ATOM 2287 N THR A 147 -6.229 -3.441 -8.447 1.00 0.00 N ATOM 2288 CA THR A 147 -7.114 -4.586 -8.581 1.00 0.00 C ATOM 2289 C THR A 147 -8.260 -4.493 -7.605 1.00 0.00 C ATOM 2290 O THR A 147 -8.082 -4.666 -6.407 1.00 0.00 O ATOM 2291 CB THR A 147 -6.345 -5.898 -8.336 1.00 0.00 C ATOM 2292 OG1 THR A 147 -5.311 -6.041 -9.319 1.00 0.00 O ATOM 2293 CG2 THR A 147 -7.265 -7.111 -8.374 1.00 0.00 C ATOM 0 H THR A 147 -6.144 -3.096 -7.491 1.00 0.00 H new ATOM 0 HA THR A 147 -7.508 -4.583 -9.597 1.00 0.00 H new ATOM 0 HB THR A 147 -5.907 -5.847 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 147 -5.038 -6.981 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 147 -6.683 -8.015 -8.197 1.00 0.00 H new ATOM 0 HG22 THR A 147 -8.028 -7.013 -7.602 1.00 0.00 H new ATOM 0 HG23 THR A 147 -7.744 -7.174 -9.351 1.00 0.00 H new ATOM 2301 N ARG A 148 -9.436 -4.214 -8.121 1.00 0.00 N ATOM 2302 CA ARG A 148 -10.612 -4.196 -7.294 1.00 0.00 C ATOM 2303 C ARG A 148 -11.344 -5.520 -7.394 1.00 0.00 C ATOM 2304 O ARG A 148 -11.300 -6.202 -8.418 1.00 0.00 O ATOM 2305 CB ARG A 148 -11.555 -3.046 -7.648 1.00 0.00 C ATOM 2306 CG ARG A 148 -11.338 -2.455 -9.022 1.00 0.00 C ATOM 2307 CD ARG A 148 -12.395 -1.408 -9.318 1.00 0.00 C ATOM 2308 NE ARG A 148 -12.156 -0.707 -10.577 1.00 0.00 N ATOM 2309 CZ ARG A 148 -13.066 -0.587 -11.546 1.00 0.00 C ATOM 2310 NH1 ARG A 148 -14.234 -1.220 -11.450 1.00 0.00 N ATOM 2311 NH2 ARG A 148 -12.803 0.155 -12.615 1.00 0.00 N ATOM 0 H ARG A 148 -9.599 -3.998 -9.104 1.00 0.00 H new ATOM 0 HA ARG A 148 -10.281 -4.039 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -12.583 -3.402 -7.578 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -11.440 -2.257 -6.905 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -10.346 -2.007 -9.080 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -11.376 -3.243 -9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -13.374 -1.886 -9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -12.422 -0.684 -8.503 1.00 0.00 H new ATOM 0 HE ARG A 148 -11.240 -0.284 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -14.435 -1.798 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -14.927 -1.126 -12.192 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -11.906 0.633 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -13.498 0.247 -13.356 1.00 0.00 H new ATOM 2325 N PHE A 149 -12.005 -5.865 -6.319 1.00 0.00 N ATOM 2326 CA PHE A 149 -12.724 -7.126 -6.217 1.00 0.00 C ATOM 2327 C PHE A 149 -14.197 -6.875 -5.914 1.00 0.00 C ATOM 2328 O PHE A 149 -14.600 -5.756 -5.605 1.00 0.00 O ATOM 2329 CB PHE A 149 -12.155 -8.007 -5.110 1.00 0.00 C ATOM 2330 CG PHE A 149 -10.676 -7.853 -4.865 1.00 0.00 C ATOM 2331 CD1 PHE A 149 -10.218 -6.908 -3.964 1.00 0.00 C ATOM 2332 CD2 PHE A 149 -9.749 -8.654 -5.515 1.00 0.00 C ATOM 2333 CE1 PHE A 149 -8.874 -6.757 -3.711 1.00 0.00 C ATOM 2334 CE2 PHE A 149 -8.394 -8.504 -5.265 1.00 0.00 C ATOM 2335 CZ PHE A 149 -7.960 -7.552 -4.359 1.00 0.00 C ATOM 0 H PHE A 149 -12.065 -5.284 -5.483 1.00 0.00 H new ATOM 0 HA PHE A 149 -12.613 -7.634 -7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -12.686 -7.787 -4.184 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -12.360 -9.049 -5.355 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -10.928 -6.277 -3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -10.085 -9.399 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 149 -8.538 -6.014 -3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 149 -7.677 -9.129 -5.777 1.00 0.00 H new ATOM 0 HZ PHE A 149 -6.905 -7.434 -4.162 1.00 0.00 H new ATOM 2345 N HIS A 150 -14.999 -7.923 -6.009 1.00 0.00 N ATOM 2346 CA HIS A 150 -16.426 -7.827 -5.731 1.00 0.00 C ATOM 2347 C HIS A 150 -16.742 -8.449 -4.382 1.00 0.00 C ATOM 2348 O HIS A 150 -16.396 -9.602 -4.131 1.00 0.00 O ATOM 2349 CB HIS A 150 -17.232 -8.506 -6.841 1.00 0.00 C ATOM 2350 CG HIS A 150 -17.064 -7.838 -8.168 1.00 0.00 C ATOM 2351 ND1 HIS A 150 -16.022 -7.130 -8.662 1.00 0.00 N flip ATOM 2352 CD2 HIS A 150 -18.030 -7.832 -9.147 1.00 0.00 C flip ATOM 2353 CE1 HIS A 150 -16.374 -6.707 -9.918 1.00 0.00 C flip ATOM 2354 NE2 HIS A 150 -17.592 -7.146 -10.187 1.00 0.00 N flip ATOM 0 H HIS A 150 -14.685 -8.856 -6.278 1.00 0.00 H new ATOM 0 HA HIS A 150 -16.706 -6.774 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -16.924 -9.548 -6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -18.288 -8.506 -6.570 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -18.995 -8.313 -9.076 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -15.759 -6.114 -10.578 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -18.107 -6.982 -11.052 1.00 0.00 H new ATOM 2363 N ILE A 151 -17.388 -7.683 -3.512 1.00 0.00 N ATOM 2364 CA ILE A 151 -17.697 -8.138 -2.170 1.00 0.00 C ATOM 2365 C ILE A 151 -19.122 -7.760 -1.827 1.00 0.00 C ATOM 2366 O ILE A 151 -19.787 -7.051 -2.586 1.00 0.00 O ATOM 2367 CB ILE A 151 -16.741 -7.534 -1.106 1.00 0.00 C ATOM 2368 CG1 ILE A 151 -17.066 -6.059 -0.813 1.00 0.00 C ATOM 2369 CG2 ILE A 151 -15.304 -7.664 -1.574 1.00 0.00 C ATOM 2370 CD1 ILE A 151 -16.359 -5.505 0.418 1.00 0.00 C ATOM 0 H ILE A 151 -17.709 -6.737 -3.718 1.00 0.00 H new ATOM 0 HA ILE A 151 -17.569 -9.220 -2.155 1.00 0.00 H new ATOM 0 HB ILE A 151 -16.880 -8.092 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -16.791 -5.457 -1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -18.143 -5.954 -0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -14.637 -7.239 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -15.062 -8.717 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -15.178 -7.130 -2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -16.638 -4.461 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -16.652 -6.081 1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -15.280 -5.577 0.281 1.00 0.00 H new ATOM 2382 N ASN A 152 -19.577 -8.230 -0.686 1.00 0.00 N ATOM 2383 CA ASN A 152 -20.899 -7.923 -0.208 1.00 0.00 C ATOM 2384 C ASN A 152 -20.837 -6.752 0.739 1.00 0.00 C ATOM 2385 O ASN A 152 -20.284 -6.825 1.836 1.00 0.00 O ATOM 2386 CB ASN A 152 -21.559 -9.133 0.442 1.00 0.00 C ATOM 2387 CG ASN A 152 -20.836 -9.640 1.654 1.00 0.00 C ATOM 2388 OD1 ASN A 152 -19.777 -10.348 1.393 1.00 0.00 O flip ATOM 2389 ND2 ASN A 152 -21.201 -9.367 2.793 1.00 0.00 N flip ATOM 0 H ASN A 152 -19.038 -8.835 -0.067 1.00 0.00 H new ATOM 0 HA ASN A 152 -21.521 -7.651 -1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 152 -22.579 -8.871 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 152 -21.626 -9.936 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 152 -22.041 -8.807 2.939 1.00 0.00 H new ATOM 0 HD22 ASN A 152 -20.664 -9.700 3.594 1.00 0.00 H new ATOM 2396 N TRP A 153 -21.358 -5.651 0.262 1.00 0.00 N ATOM 2397 CA TRP A 153 -21.559 -4.475 1.078 1.00 0.00 C ATOM 2398 C TRP A 153 -22.857 -4.650 1.844 1.00 0.00 C ATOM 2399 O TRP A 153 -23.408 -3.707 2.412 1.00 0.00 O ATOM 2400 CB TRP A 153 -21.605 -3.224 0.199 1.00 0.00 C ATOM 2401 CG TRP A 153 -20.454 -3.145 -0.760 1.00 0.00 C ATOM 2402 CD1 TRP A 153 -20.200 -3.973 -1.819 1.00 0.00 C ATOM 2403 CD2 TRP A 153 -19.414 -2.177 -0.754 1.00 0.00 C ATOM 2404 NE1 TRP A 153 -19.046 -3.596 -2.446 1.00 0.00 N ATOM 2405 CE2 TRP A 153 -18.552 -2.481 -1.825 1.00 0.00 C ATOM 2406 CE3 TRP A 153 -19.126 -1.081 0.055 1.00 0.00 C ATOM 2407 CZ2 TRP A 153 -17.425 -1.721 -2.101 1.00 0.00 C ATOM 2408 CZ3 TRP A 153 -18.011 -0.326 -0.222 1.00 0.00 C ATOM 2409 CH2 TRP A 153 -17.175 -0.647 -1.292 1.00 0.00 C ATOM 0 H TRP A 153 -21.657 -5.542 -0.707 1.00 0.00 H new ATOM 0 HA TRP A 153 -20.734 -4.352 1.779 1.00 0.00 H new ATOM 0 HB2 TRP A 153 -22.540 -3.213 -0.361 1.00 0.00 H new ATOM 0 HB3 TRP A 153 -21.604 -2.339 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 153 -20.822 -4.804 -2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 153 -18.623 -4.068 -3.245 1.00 0.00 H new ATOM 0 HE3 TRP A 153 -19.768 -0.828 0.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 153 -16.770 -1.968 -2.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 153 -17.779 0.528 0.397 1.00 0.00 H new ATOM 0 HH2 TRP A 153 -16.309 -0.032 -1.486 1.00 0.00 H new ATOM 2420 N GLU A 154 -23.313 -5.895 1.861 1.00 0.00 N ATOM 2421 CA GLU A 154 -24.569 -6.265 2.466 1.00 0.00 C ATOM 2422 C GLU A 154 -24.303 -7.305 3.528 1.00 0.00 C ATOM 2423 O GLU A 154 -23.168 -7.474 3.965 1.00 0.00 O ATOM 2424 CB GLU A 154 -25.504 -6.844 1.403 1.00 0.00 C ATOM 2425 CG GLU A 154 -25.991 -5.828 0.389 1.00 0.00 C ATOM 2426 CD GLU A 154 -26.868 -4.767 1.013 1.00 0.00 C ATOM 2427 OE1 GLU A 154 -27.950 -5.116 1.528 1.00 0.00 O ATOM 2428 OE2 GLU A 154 -26.481 -3.584 0.998 1.00 0.00 O ATOM 0 H GLU A 154 -22.809 -6.680 1.448 1.00 0.00 H new ATOM 0 HA GLU A 154 -25.040 -5.388 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 154 -24.987 -7.647 0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 154 -26.367 -7.291 1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 154 -25.133 -5.353 -0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 154 -26.547 -6.340 -0.396 1.00 0.00 H new ATOM 2435 N ASP A 155 -25.345 -7.979 3.949 1.00 0.00 N ATOM 2436 CA ASP A 155 -25.197 -9.117 4.835 1.00 0.00 C ATOM 2437 C ASP A 155 -25.935 -10.298 4.237 1.00 0.00 C ATOM 2438 O ASP A 155 -27.002 -10.696 4.710 1.00 0.00 O ATOM 2439 CB ASP A 155 -25.717 -8.801 6.230 1.00 0.00 C ATOM 2440 CG ASP A 155 -25.445 -9.914 7.227 1.00 0.00 C ATOM 2441 OD1 ASP A 155 -24.277 -10.088 7.631 1.00 0.00 O ATOM 2442 OD2 ASP A 155 -26.404 -10.611 7.624 1.00 0.00 O ATOM 0 H ASP A 155 -26.308 -7.762 3.694 1.00 0.00 H new ATOM 0 HA ASP A 155 -24.139 -9.359 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -25.254 -7.880 6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -26.791 -8.619 6.180 1.00 0.00 H new ATOM 2447 N ASN A 156 -25.378 -10.831 3.159 1.00 0.00 N ATOM 2448 CA ASN A 156 -25.985 -11.957 2.470 1.00 0.00 C ATOM 2449 C ASN A 156 -24.976 -13.078 2.276 1.00 0.00 C ATOM 2450 O ASN A 156 -25.359 -14.255 2.437 1.00 0.00 O ATOM 2451 CB ASN A 156 -26.614 -11.528 1.128 1.00 0.00 C ATOM 2452 CG ASN A 156 -25.700 -10.712 0.214 1.00 0.00 C ATOM 2453 OD1 ASN A 156 -26.170 -9.832 -0.507 1.00 0.00 O ATOM 2454 ND2 ASN A 156 -24.408 -10.997 0.207 1.00 0.00 N ATOM 2455 OXT ASN A 156 -23.795 -12.774 2.010 1.00 0.00 O ATOM 0 H ASN A 156 -24.507 -10.501 2.744 1.00 0.00 H new ATOM 0 HA ASN A 156 -26.792 -12.336 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 156 -26.933 -12.422 0.592 1.00 0.00 H new ATOM 0 HB3 ASN A 156 -27.510 -10.943 1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 156 -23.776 -10.482 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 156 -24.044 -11.731 0.815 1.00 0.00 H new TER 2462 ASN A 156 ATOM 2463 N GLY B 118 14.428 -20.164 -3.717 1.00 0.00 N ATOM 2464 CA GLY B 118 13.494 -19.022 -3.574 1.00 0.00 C ATOM 2465 C GLY B 118 12.588 -18.878 -4.779 1.00 0.00 C ATOM 2466 O GLY B 118 12.786 -19.546 -5.798 1.00 0.00 O ATOM 0 HA2 GLY B 118 12.888 -19.159 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY B 118 14.063 -18.103 -3.436 1.00 0.00 H new ATOM 2470 N ALA B 119 11.591 -18.012 -4.670 1.00 0.00 N ATOM 2471 CA ALA B 119 10.669 -17.772 -5.768 1.00 0.00 C ATOM 2472 C ALA B 119 11.170 -16.637 -6.655 1.00 0.00 C ATOM 2473 O ALA B 119 10.699 -15.508 -6.546 1.00 0.00 O ATOM 2474 CB ALA B 119 9.276 -17.463 -5.239 1.00 0.00 C ATOM 0 H ALA B 119 11.401 -17.464 -3.831 1.00 0.00 H new ATOM 0 HA ALA B 119 10.614 -18.678 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA B 119 8.600 -17.286 -6.076 1.00 0.00 H new ATOM 0 HB2 ALA B 119 8.914 -18.307 -4.652 1.00 0.00 H new ATOM 0 HB3 ALA B 119 9.315 -16.574 -4.610 1.00 0.00 H new ATOM 2480 N MET B 120 12.129 -16.957 -7.523 1.00 0.00 N ATOM 2481 CA MET B 120 12.714 -15.993 -8.463 1.00 0.00 C ATOM 2482 C MET B 120 13.331 -14.798 -7.742 1.00 0.00 C ATOM 2483 O MET B 120 14.493 -14.838 -7.327 1.00 0.00 O ATOM 2484 CB MET B 120 11.676 -15.506 -9.481 1.00 0.00 C ATOM 2485 CG MET B 120 11.190 -16.583 -10.433 1.00 0.00 C ATOM 2486 SD MET B 120 9.905 -15.984 -11.550 1.00 0.00 S ATOM 2487 CE MET B 120 10.791 -14.691 -12.419 1.00 0.00 C ATOM 0 H MET B 120 12.525 -17.894 -7.597 1.00 0.00 H new ATOM 0 HA MET B 120 13.508 -16.518 -8.994 1.00 0.00 H new ATOM 0 HB2 MET B 120 10.820 -15.097 -8.944 1.00 0.00 H new ATOM 0 HB3 MET B 120 12.107 -14.690 -10.062 1.00 0.00 H new ATOM 0 HG2 MET B 120 12.032 -16.954 -11.018 1.00 0.00 H new ATOM 0 HG3 MET B 120 10.805 -17.425 -9.858 1.00 0.00 H new ATOM 0 HE1 MET B 120 10.272 -14.456 -13.348 1.00 0.00 H new ATOM 0 HE2 MET B 120 10.838 -13.799 -11.794 1.00 0.00 H new ATOM 0 HE3 MET B 120 11.802 -15.031 -12.644 1.00 0.00 H new ATOM 2497 N GLY B 121 12.535 -13.751 -7.573 1.00 0.00 N ATOM 2498 CA GLY B 121 13.021 -12.533 -6.972 1.00 0.00 C ATOM 2499 C GLY B 121 11.899 -11.690 -6.407 1.00 0.00 C ATOM 2500 O GLY B 121 10.860 -12.214 -6.006 1.00 0.00 O ATOM 0 H GLY B 121 11.552 -13.728 -7.846 1.00 0.00 H new ATOM 0 HA2 GLY B 121 13.726 -12.778 -6.177 1.00 0.00 H new ATOM 0 HA3 GLY B 121 13.568 -11.955 -7.717 1.00 0.00 H new ATOM 2504 N LYS B 122 12.090 -10.378 -6.427 1.00 0.00 N ATOM 2505 CA LYS B 122 11.159 -9.452 -5.798 1.00 0.00 C ATOM 2506 C LYS B 122 9.863 -9.373 -6.591 1.00 0.00 C ATOM 2507 O LYS B 122 8.770 -9.403 -6.029 1.00 0.00 O ATOM 2508 CB LYS B 122 11.762 -8.046 -5.687 1.00 0.00 C ATOM 2509 CG LYS B 122 12.919 -7.950 -4.709 1.00 0.00 C ATOM 2510 CD LYS B 122 14.143 -8.684 -5.212 1.00 0.00 C ATOM 2511 CE LYS B 122 14.857 -7.895 -6.302 1.00 0.00 C ATOM 2512 NZ LYS B 122 16.039 -8.619 -6.841 1.00 0.00 N ATOM 0 H LYS B 122 12.888 -9.929 -6.876 1.00 0.00 H new ATOM 0 HA LYS B 122 10.954 -9.830 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS B 122 12.104 -7.729 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS B 122 10.981 -7.349 -5.381 1.00 0.00 H new ATOM 0 HG2 LYS B 122 13.167 -6.902 -4.541 1.00 0.00 H new ATOM 0 HG3 LYS B 122 12.617 -8.364 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS B 122 14.828 -8.863 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS B 122 13.850 -9.660 -5.600 1.00 0.00 H new ATOM 0 HE2 LYS B 122 14.159 -7.688 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS B 122 15.175 -6.932 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 16.492 -8.043 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 16.718 -8.794 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 15.734 -9.526 -7.248 1.00 0.00 H new ATOM 2526 N ASP B 123 10.016 -9.289 -7.908 1.00 0.00 N ATOM 2527 CA ASP B 123 8.901 -9.053 -8.827 1.00 0.00 C ATOM 2528 C ASP B 123 7.722 -9.985 -8.584 1.00 0.00 C ATOM 2529 O ASP B 123 6.599 -9.527 -8.378 1.00 0.00 O ATOM 2530 CB ASP B 123 9.368 -9.198 -10.272 1.00 0.00 C ATOM 2531 CG ASP B 123 10.215 -8.031 -10.729 1.00 0.00 C ATOM 2532 OD1 ASP B 123 11.392 -7.947 -10.321 1.00 0.00 O ATOM 2533 OD2 ASP B 123 9.707 -7.198 -11.508 1.00 0.00 O ATOM 0 H ASP B 123 10.919 -9.383 -8.373 1.00 0.00 H new ATOM 0 HA ASP B 123 8.557 -8.036 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP B 123 9.941 -10.120 -10.374 1.00 0.00 H new ATOM 0 HB3 ASP B 123 8.499 -9.289 -10.924 1.00 0.00 H new ATOM 2538 N ILE B 124 7.973 -11.287 -8.602 1.00 0.00 N ATOM 2539 CA ILE B 124 6.898 -12.265 -8.474 1.00 0.00 C ATOM 2540 C ILE B 124 6.378 -12.332 -7.034 1.00 0.00 C ATOM 2541 O ILE B 124 5.223 -12.677 -6.801 1.00 0.00 O ATOM 2542 CB ILE B 124 7.343 -13.663 -8.958 1.00 0.00 C ATOM 2543 CG1 ILE B 124 6.170 -14.651 -8.922 1.00 0.00 C ATOM 2544 CG2 ILE B 124 8.505 -14.172 -8.121 1.00 0.00 C ATOM 2545 CD1 ILE B 124 6.515 -16.026 -9.453 1.00 0.00 C ATOM 0 H ILE B 124 8.905 -11.690 -8.703 1.00 0.00 H new ATOM 0 HA ILE B 124 6.081 -11.934 -9.116 1.00 0.00 H new ATOM 0 HB ILE B 124 7.679 -13.577 -9.991 1.00 0.00 H new ATOM 0 HG12 ILE B 124 5.818 -14.746 -7.895 1.00 0.00 H new ATOM 0 HG13 ILE B 124 5.345 -14.243 -9.505 1.00 0.00 H new ATOM 0 HG21 ILE B 124 8.805 -15.158 -8.476 1.00 0.00 H new ATOM 0 HG22 ILE B 124 9.345 -13.484 -8.208 1.00 0.00 H new ATOM 0 HG23 ILE B 124 8.199 -14.240 -7.077 1.00 0.00 H new ATOM 0 HD11 ILE B 124 5.637 -16.669 -9.396 1.00 0.00 H new ATOM 0 HD12 ILE B 124 6.838 -15.945 -10.491 1.00 0.00 H new ATOM 0 HD13 ILE B 124 7.319 -16.456 -8.855 1.00 0.00 H new ATOM 2557 N GLN B 125 7.226 -11.980 -6.076 1.00 0.00 N ATOM 2558 CA GLN B 125 6.814 -11.897 -4.677 1.00 0.00 C ATOM 2559 C GLN B 125 5.785 -10.790 -4.498 1.00 0.00 C ATOM 2560 O GLN B 125 4.743 -10.959 -3.849 1.00 0.00 O ATOM 2561 CB GLN B 125 8.033 -11.641 -3.795 1.00 0.00 C ATOM 2562 CG GLN B 125 8.815 -12.901 -3.481 1.00 0.00 C ATOM 2563 CD GLN B 125 8.100 -13.774 -2.472 1.00 0.00 C ATOM 2564 OE1 GLN B 125 7.380 -13.143 -1.560 1.00 0.00 O flip ATOM 2565 NE2 GLN B 125 8.199 -15.001 -2.503 1.00 0.00 N flip ATOM 0 H GLN B 125 8.205 -11.747 -6.241 1.00 0.00 H new ATOM 0 HA GLN B 125 6.358 -12.842 -4.381 1.00 0.00 H new ATOM 0 HB2 GLN B 125 8.690 -10.927 -4.292 1.00 0.00 H new ATOM 0 HB3 GLN B 125 7.709 -11.180 -2.862 1.00 0.00 H new ATOM 0 HG2 GLN B 125 8.977 -13.466 -4.399 1.00 0.00 H new ATOM 0 HG3 GLN B 125 9.798 -12.631 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN B 125 8.765 -15.449 -3.224 1.00 0.00 H new ATOM 0 HE22 GLN B 125 7.715 -15.569 -1.808 1.00 0.00 H new ATOM 2574 N LEU B 126 6.075 -9.658 -5.100 1.00 0.00 N ATOM 2575 CA LEU B 126 5.147 -8.556 -5.109 1.00 0.00 C ATOM 2576 C LEU B 126 3.913 -8.966 -5.897 1.00 0.00 C ATOM 2577 O LEU B 126 2.790 -8.752 -5.459 1.00 0.00 O ATOM 2578 CB LEU B 126 5.805 -7.324 -5.732 1.00 0.00 C ATOM 2579 CG LEU B 126 7.216 -7.018 -5.216 1.00 0.00 C ATOM 2580 CD1 LEU B 126 7.788 -5.794 -5.905 1.00 0.00 C ATOM 2581 CD2 LEU B 126 7.208 -6.833 -3.706 1.00 0.00 C ATOM 0 H LEU B 126 6.951 -9.479 -5.591 1.00 0.00 H new ATOM 0 HA LEU B 126 4.856 -8.302 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU B 126 5.850 -7.461 -6.812 1.00 0.00 H new ATOM 0 HB3 LEU B 126 5.170 -6.458 -5.547 1.00 0.00 H new ATOM 0 HG LEU B 126 7.856 -7.869 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU B 126 8.789 -5.596 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.838 -5.971 -6.979 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.148 -4.934 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU B 126 8.219 -6.617 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.550 -6.004 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.849 -7.745 -3.230 1.00 0.00 H new ATOM 2593 N ALA B 127 4.152 -9.617 -7.036 1.00 0.00 N ATOM 2594 CA ALA B 127 3.089 -10.043 -7.941 1.00 0.00 C ATOM 2595 C ALA B 127 2.095 -10.987 -7.273 1.00 0.00 C ATOM 2596 O ALA B 127 0.900 -10.892 -7.524 1.00 0.00 O ATOM 2597 CB ALA B 127 3.681 -10.699 -9.179 1.00 0.00 C ATOM 0 H ALA B 127 5.089 -9.863 -7.355 1.00 0.00 H new ATOM 0 HA ALA B 127 2.539 -9.147 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA B 127 2.877 -11.012 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA B 127 4.324 -9.987 -9.696 1.00 0.00 H new ATOM 0 HB3 ALA B 127 4.267 -11.569 -8.884 1.00 0.00 H new ATOM 2603 N ARG B 128 2.573 -11.898 -6.432 1.00 0.00 N ATOM 2604 CA ARG B 128 1.671 -12.835 -5.764 1.00 0.00 C ATOM 2605 C ARG B 128 0.759 -12.102 -4.781 1.00 0.00 C ATOM 2606 O ARG B 128 -0.473 -12.289 -4.804 1.00 0.00 O ATOM 2607 CB ARG B 128 2.433 -13.980 -5.077 1.00 0.00 C ATOM 2608 CG ARG B 128 3.571 -13.522 -4.188 1.00 0.00 C ATOM 2609 CD ARG B 128 4.341 -14.686 -3.583 1.00 0.00 C ATOM 2610 NE ARG B 128 3.559 -15.397 -2.577 1.00 0.00 N ATOM 2611 CZ ARG B 128 4.070 -16.201 -1.646 1.00 0.00 C ATOM 2612 NH1 ARG B 128 5.382 -16.413 -1.570 1.00 0.00 N ATOM 2613 NH2 ARG B 128 3.259 -16.793 -0.781 1.00 0.00 N ATOM 0 H ARG B 128 3.560 -12.009 -6.198 1.00 0.00 H new ATOM 0 HA ARG B 128 1.046 -13.291 -6.532 1.00 0.00 H new ATOM 0 HB2 ARG B 128 1.731 -14.562 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG B 128 2.830 -14.648 -5.842 1.00 0.00 H new ATOM 0 HG2 ARG B 128 4.254 -12.901 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG B 128 3.174 -12.898 -3.388 1.00 0.00 H new ATOM 0 HD2 ARG B 128 4.630 -15.379 -4.373 1.00 0.00 H new ATOM 0 HD3 ARG B 128 5.261 -14.316 -3.131 1.00 0.00 H new ATOM 0 HE ARG B 128 2.547 -15.269 -2.587 1.00 0.00 H new ATOM 0 HH11 ARG B 128 6.011 -15.957 -2.230 1.00 0.00 H new ATOM 0 HH12 ARG B 128 5.758 -17.032 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG B 128 2.253 -16.631 -0.832 1.00 0.00 H new ATOM 0 HH22 ARG B 128 3.641 -17.410 -0.064 1.00 0.00 H new ATOM 2627 N ARG B 129 1.340 -11.220 -3.955 1.00 0.00 N ATOM 2628 CA ARG B 129 0.535 -10.463 -3.003 1.00 0.00 C ATOM 2629 C ARG B 129 -0.437 -9.590 -3.783 1.00 0.00 C ATOM 2630 O ARG B 129 -1.623 -9.458 -3.434 1.00 0.00 O ATOM 2631 CB ARG B 129 1.431 -9.590 -2.119 1.00 0.00 C ATOM 2632 CG ARG B 129 1.111 -9.679 -0.635 1.00 0.00 C ATOM 2633 CD ARG B 129 1.284 -11.099 -0.127 1.00 0.00 C ATOM 2634 NE ARG B 129 1.135 -11.208 1.324 1.00 0.00 N ATOM 2635 CZ ARG B 129 1.224 -12.360 1.993 1.00 0.00 C ATOM 2636 NH1 ARG B 129 1.427 -13.500 1.344 1.00 0.00 N ATOM 2637 NH2 ARG B 129 1.110 -12.367 3.312 1.00 0.00 N ATOM 0 H ARG B 129 2.340 -11.020 -3.930 1.00 0.00 H new ATOM 0 HA ARG B 129 -0.012 -11.149 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG B 129 2.470 -9.880 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG B 129 1.339 -8.552 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG B 129 1.764 -9.007 -0.077 1.00 0.00 H new ATOM 0 HG3 ARG B 129 0.087 -9.348 -0.459 1.00 0.00 H new ATOM 0 HD2 ARG B 129 0.551 -11.744 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG B 129 2.270 -11.464 -0.414 1.00 0.00 H new ATOM 0 HE ARG B 129 0.953 -10.356 1.855 1.00 0.00 H new ATOM 0 HH11 ARG B 129 1.516 -13.500 0.328 1.00 0.00 H new ATOM 0 HH12 ARG B 129 1.494 -14.376 1.861 1.00 0.00 H new ATOM 0 HH21 ARG B 129 0.954 -11.493 3.815 1.00 0.00 H new ATOM 0 HH22 ARG B 129 1.178 -13.246 3.825 1.00 0.00 H new ATOM 2651 N ILE B 130 0.106 -9.045 -4.867 1.00 0.00 N ATOM 2652 CA ILE B 130 -0.601 -8.192 -5.809 1.00 0.00 C ATOM 2653 C ILE B 130 -1.844 -8.866 -6.391 1.00 0.00 C ATOM 2654 O ILE B 130 -2.960 -8.376 -6.200 1.00 0.00 O ATOM 2655 CB ILE B 130 0.369 -7.780 -6.948 1.00 0.00 C ATOM 2656 CG1 ILE B 130 1.151 -6.525 -6.544 1.00 0.00 C ATOM 2657 CG2 ILE B 130 -0.347 -7.579 -8.276 1.00 0.00 C ATOM 2658 CD1 ILE B 130 2.159 -6.071 -7.580 1.00 0.00 C ATOM 0 H ILE B 130 1.083 -9.192 -5.120 1.00 0.00 H new ATOM 0 HA ILE B 130 -0.946 -7.310 -5.269 1.00 0.00 H new ATOM 0 HB ILE B 130 1.070 -8.601 -7.098 1.00 0.00 H new ATOM 0 HG12 ILE B 130 0.447 -5.714 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE B 130 1.671 -6.719 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE B 130 0.376 -7.292 -9.039 1.00 0.00 H new ATOM 0 HG22 ILE B 130 -0.836 -8.508 -8.570 1.00 0.00 H new ATOM 0 HG23 ILE B 130 -1.095 -6.793 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE B 130 2.672 -5.178 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE B 130 2.887 -6.864 -7.751 1.00 0.00 H new ATOM 0 HD13 ILE B 130 1.644 -5.844 -8.513 1.00 0.00 H new ATOM 2670 N ARG B 131 -1.643 -9.991 -7.082 1.00 0.00 N ATOM 2671 CA ARG B 131 -2.717 -10.656 -7.817 1.00 0.00 C ATOM 2672 C ARG B 131 -3.908 -10.919 -6.918 1.00 0.00 C ATOM 2673 O ARG B 131 -5.053 -10.701 -7.307 1.00 0.00 O ATOM 2674 CB ARG B 131 -2.238 -11.972 -8.432 1.00 0.00 C ATOM 2675 CG ARG B 131 -1.259 -11.813 -9.585 1.00 0.00 C ATOM 2676 CD ARG B 131 -1.923 -11.174 -10.795 1.00 0.00 C ATOM 2677 NE ARG B 131 -3.197 -11.820 -11.127 1.00 0.00 N ATOM 2678 CZ ARG B 131 -3.790 -11.755 -12.321 1.00 0.00 C ATOM 2679 NH1 ARG B 131 -3.170 -11.193 -13.354 1.00 0.00 N ATOM 2680 NH2 ARG B 131 -4.991 -12.294 -12.489 1.00 0.00 N ATOM 0 H ARG B 131 -0.740 -10.461 -7.147 1.00 0.00 H new ATOM 0 HA ARG B 131 -3.020 -9.985 -8.621 1.00 0.00 H new ATOM 0 HB2 ARG B 131 -1.767 -12.572 -7.653 1.00 0.00 H new ATOM 0 HB3 ARG B 131 -3.106 -12.530 -8.784 1.00 0.00 H new ATOM 0 HG2 ARG B 131 -0.415 -11.201 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG B 131 -0.859 -12.788 -9.861 1.00 0.00 H new ATOM 0 HD2 ARG B 131 -2.094 -10.116 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG B 131 -1.252 -11.235 -11.651 1.00 0.00 H new ATOM 0 HE ARG B 131 -3.662 -12.356 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG B 131 -2.233 -10.807 -13.238 1.00 0.00 H new ATOM 0 HH12 ARG B 131 -3.631 -11.148 -14.263 1.00 0.00 H new ATOM 0 HH21 ARG B 131 -5.457 -12.755 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG B 131 -5.448 -12.247 -13.400 1.00 0.00 H new ATOM 2694 N GLY B 132 -3.640 -11.369 -5.709 1.00 0.00 N ATOM 2695 CA GLY B 132 -4.718 -11.597 -4.780 1.00 0.00 C ATOM 2696 C GLY B 132 -4.348 -12.604 -3.737 1.00 0.00 C ATOM 2697 O GLY B 132 -4.865 -13.723 -3.734 1.00 0.00 O ATOM 0 H GLY B 132 -2.706 -11.579 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY B 132 -4.988 -10.657 -4.298 1.00 0.00 H new ATOM 0 HA3 GLY B 132 -5.598 -11.942 -5.322 1.00 0.00 H new ATOM 2701 N GLU B 133 -3.455 -12.220 -2.843 1.00 0.00 N ATOM 2702 CA GLU B 133 -2.968 -13.181 -1.861 1.00 0.00 C ATOM 2703 C GLU B 133 -3.515 -12.877 -0.474 1.00 0.00 C ATOM 2704 O GLU B 133 -3.615 -13.767 0.369 1.00 0.00 O ATOM 2705 CB GLU B 133 -1.442 -13.239 -1.858 1.00 0.00 C ATOM 2706 CG GLU B 133 -0.892 -14.448 -1.117 1.00 0.00 C ATOM 2707 CD GLU B 133 0.549 -14.743 -1.469 1.00 0.00 C ATOM 2708 OE1 GLU B 133 1.395 -13.850 -1.308 1.00 0.00 O ATOM 2709 OE2 GLU B 133 0.840 -15.876 -1.909 1.00 0.00 O ATOM 0 H GLU B 133 -3.061 -11.282 -2.773 1.00 0.00 H new ATOM 0 HA GLU B 133 -3.335 -14.166 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU B 133 -1.083 -13.257 -2.887 1.00 0.00 H new ATOM 0 HB3 GLU B 133 -1.051 -12.331 -1.400 1.00 0.00 H new ATOM 0 HG2 GLU B 133 -0.972 -14.278 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU B 133 -1.504 -15.320 -1.348 1.00 0.00 H new ATOM 2716 N ARG B 134 -3.876 -11.623 -0.242 1.00 0.00 N ATOM 2717 CA ARG B 134 -4.534 -11.242 0.988 1.00 0.00 C ATOM 2718 C ARG B 134 -5.935 -11.825 0.996 1.00 0.00 C ATOM 2719 O ARG B 134 -6.222 -12.812 1.671 1.00 0.00 O ATOM 2720 CB ARG B 134 -4.651 -9.732 1.080 1.00 0.00 C ATOM 2721 CG ARG B 134 -3.395 -8.971 0.722 1.00 0.00 C ATOM 2722 CD ARG B 134 -3.738 -7.828 -0.217 1.00 0.00 C ATOM 2723 NE ARG B 134 -3.938 -8.281 -1.602 1.00 0.00 N ATOM 2724 CZ ARG B 134 -5.131 -8.564 -2.146 1.00 0.00 C ATOM 2725 NH1 ARG B 134 -6.249 -8.483 -1.431 1.00 0.00 N ATOM 2726 NH2 ARG B 134 -5.200 -8.921 -3.421 1.00 0.00 N ATOM 0 H ARG B 134 -3.721 -10.854 -0.895 1.00 0.00 H new ATOM 0 HA ARG B 134 -3.949 -11.615 1.829 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -5.456 -9.404 0.422 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -4.941 -9.466 2.096 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -2.924 -8.583 1.625 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -2.676 -9.640 0.249 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -4.643 -7.332 0.134 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -2.938 -7.088 -0.192 1.00 0.00 H new ATOM 0 HE ARG B 134 -3.111 -8.387 -2.190 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -6.209 -8.202 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -7.147 -8.702 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -4.350 -8.979 -3.981 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -6.104 -9.138 -3.842 1.00 0.00 H new ATOM 2740 N ALA B 135 -6.791 -11.191 0.211 1.00 0.00 N ATOM 2741 CA ALA B 135 -8.146 -11.642 0.009 1.00 0.00 C ATOM 2742 C ALA B 135 -8.531 -11.450 -1.451 1.00 0.00 C ATOM 2743 O ALA B 135 -8.812 -12.457 -2.133 1.00 0.00 O ATOM 2744 CB ALA B 135 -9.106 -10.892 0.918 1.00 0.00 C ATOM 2745 OXT ALA B 135 -8.515 -10.288 -1.916 1.00 0.00 O ATOM 0 H ALA B 135 -6.557 -10.343 -0.305 1.00 0.00 H new ATOM 0 HA ALA B 135 -8.208 -12.701 0.260 1.00 0.00 H new ATOM 0 HB1 ALA B 135 -10.122 -11.249 0.748 1.00 0.00 H new ATOM 0 HB2 ALA B 135 -8.831 -11.063 1.959 1.00 0.00 H new ATOM 0 HB3 ALA B 135 -9.055 -9.825 0.700 1.00 0.00 H new TER 2751 ALA B 135