USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 987 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 22 MET CE :methyl -141:sc= -0.101 (180deg=-1.15) USER MOD Set 1.2: A 71 THR OG1 : rot -20:sc= 0.105 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.115 (180deg=-0.262) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 4 HIS : no HD1:sc=-3.99e-05 X(o=-4e-05,f=-0.0064) USER MOD Single : A 5 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.72) USER MOD Single : A 6 HIS : no HD1:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0746 (180deg=-0.498) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 16 THR OG1 : rot 49:sc= 0.353 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot -42:sc= 0.663 USER MOD Single : A 25 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.5) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.128 K(o=-0.13,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.882) USER MOD Single : A 36 THR OG1 : rot -89:sc= 1.22 USER MOD Single : A 37 SER OG : rot -90:sc= 1.24 USER MOD Single : A 38 CYS SG : rot -103:sc= 0.282 USER MOD Single : A 39 ASN : amide:sc= -0.0341 K(o=-0.034,f=-0.68) USER MOD Single : A 41 ASN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.126 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 65 LYS NZ :NH3+ -144:sc= -0.0506 (180deg=-0.311) USER MOD Single : A 68 GLN : amide:sc=-0.00127 K(o=-0.0013,f=-1) USER MOD Single : A 69 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.51) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.00913 K(o=-0.0091,f=-0.61) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -1.89! (180deg=-2.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 146:sc= 1.68 (180deg=1.46) USER MOD Single : A 80 ASN : amide:sc= 0.089 K(o=0.089,f=-5.4!) USER MOD Single : A 84 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.68) USER MOD Single : A 85 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.7) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.9!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 101:sc= 0.605 USER MOD Single : A 101 MET CE :methyl -111:sc= -0.395 (180deg=-2.24!) USER MOD Single : A 103 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.2) USER MOD Single : A 104 ASN : amide:sc= -1.42 K(o=-1.4,f=-9.7!) USER MOD Single : A 106 LYS NZ :NH3+ 169:sc= -0.0275 (180deg=-0.2) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0643) USER MOD Single : A 109 SER OG : rot 152:sc= 0.541 USER MOD Single : A 110 GLN : amide:sc= 0.409 K(o=0.41,f=-0.92) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -141:sc= -1.27! (180deg=-4!) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.889 X(o=-0.89,f=-0.59) USER MOD Single : A 125 ASN : amide:sc= 0.374 K(o=0.37,f=-0.35) USER MOD Single : A 126 ASN : amide:sc= 1.36 K(o=1.4,f=-0.32) USER MOD Single : A 128 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.632 -24.742 42.310 1.00 11.24 N ATOM 2 CA MET A 1 -19.209 -23.891 41.243 1.00 72.13 C ATOM 3 C MET A 1 -18.104 -23.250 40.409 1.00 1.22 C ATOM 4 O MET A 1 -18.295 -22.956 39.230 1.00 22.24 O ATOM 5 CB MET A 1 -20.082 -22.781 41.854 1.00 1.14 C ATOM 6 CG MET A 1 -19.290 -21.736 42.637 1.00 1.02 C ATOM 7 SD MET A 1 -20.310 -20.373 43.237 1.00 1.40 S ATOM 8 CE MET A 1 -19.053 -19.307 43.952 1.00 41.15 C ATOM 0 H1 MET A 1 -19.396 -25.249 42.801 1.00 11.24 H new ATOM 0 H2 MET A 1 -17.976 -25.430 41.889 1.00 11.24 H new ATOM 0 H3 MET A 1 -18.119 -24.146 42.990 1.00 11.24 H new ATOM 0 HA MET A 1 -19.821 -24.527 40.604 1.00 72.13 H new ATOM 0 HB2 MET A 1 -20.632 -22.283 41.056 1.00 1.14 H new ATOM 0 HB3 MET A 1 -20.820 -23.235 42.515 1.00 1.14 H new ATOM 0 HG2 MET A 1 -18.804 -22.218 43.485 1.00 1.02 H new ATOM 0 HG3 MET A 1 -18.500 -21.337 42.001 1.00 1.02 H new ATOM 0 HE1 MET A 1 -19.525 -18.416 44.367 1.00 41.15 H new ATOM 0 HE2 MET A 1 -18.529 -19.843 44.743 1.00 41.15 H new ATOM 0 HE3 MET A 1 -18.342 -19.014 43.180 1.00 41.15 H new ATOM 20 N ALA A 2 -16.947 -23.042 41.033 1.00 1.03 N ATOM 21 CA ALA A 2 -15.867 -22.265 40.437 1.00 33.41 C ATOM 22 C ALA A 2 -15.329 -22.892 39.149 1.00 72.41 C ATOM 23 O ALA A 2 -14.708 -23.955 39.168 1.00 34.52 O ATOM 24 CB ALA A 2 -14.735 -22.081 41.445 1.00 33.44 C ATOM 0 H ALA A 2 -16.734 -23.406 41.962 1.00 1.03 H new ATOM 0 HA ALA A 2 -16.283 -21.294 40.169 1.00 33.41 H new ATOM 0 HB1 ALA A 2 -13.933 -21.499 40.990 1.00 33.44 H new ATOM 0 HB2 ALA A 2 -15.111 -21.556 42.323 1.00 33.44 H new ATOM 0 HB3 ALA A 2 -14.351 -23.057 41.743 1.00 33.44 H new ATOM 30 N HIS A 3 -15.599 -22.227 38.033 1.00 54.40 N ATOM 31 CA HIS A 3 -14.946 -22.520 36.758 1.00 15.32 C ATOM 32 C HIS A 3 -13.951 -21.400 36.477 1.00 71.52 C ATOM 33 O HIS A 3 -13.740 -20.992 35.334 1.00 22.02 O ATOM 34 CB HIS A 3 -15.982 -22.618 35.632 1.00 2.22 C ATOM 35 CG HIS A 3 -16.984 -23.712 35.838 1.00 3.33 C ATOM 36 ND1 HIS A 3 -18.264 -23.489 36.302 1.00 73.32 N ATOM 37 CD2 HIS A 3 -16.886 -25.048 35.643 1.00 34.34 C ATOM 38 CE1 HIS A 3 -18.907 -24.637 36.383 1.00 74.52 C ATOM 39 NE2 HIS A 3 -18.094 -25.596 35.987 1.00 14.00 N ATOM 0 H HIS A 3 -16.278 -21.467 37.984 1.00 54.40 H new ATOM 0 HA HIS A 3 -14.429 -23.478 36.809 1.00 15.32 H new ATOM 0 HB2 HIS A 3 -16.507 -21.666 35.547 1.00 2.22 H new ATOM 0 HB3 HIS A 3 -15.465 -22.782 34.686 1.00 2.22 H new ATOM 0 HD2 HIS A 3 -16.019 -25.582 35.284 1.00 34.34 H new ATOM 0 HE1 HIS A 3 -19.926 -24.769 36.717 1.00 74.52 H new ATOM 0 HE2 HIS A 3 -18.327 -26.588 35.944 1.00 14.00 H new ATOM 48 N HIS A 4 -13.325 -20.937 37.556 1.00 13.24 N ATOM 49 CA HIS A 4 -12.501 -19.734 37.544 1.00 2.24 C ATOM 50 C HIS A 4 -11.234 -19.907 36.710 1.00 5.41 C ATOM 51 O HIS A 4 -10.691 -18.927 36.202 1.00 31.00 O ATOM 52 CB HIS A 4 -12.142 -19.344 38.984 1.00 21.53 C ATOM 53 CG HIS A 4 -11.291 -18.114 39.090 1.00 64.14 C ATOM 54 ND1 HIS A 4 -10.070 -18.098 39.727 1.00 34.14 N ATOM 55 CD2 HIS A 4 -11.504 -16.850 38.659 1.00 2.35 C ATOM 56 CE1 HIS A 4 -9.571 -16.878 39.683 1.00 12.52 C ATOM 57 NE2 HIS A 4 -10.421 -16.099 39.041 1.00 23.22 N ATOM 0 H HIS A 4 -13.376 -21.390 38.469 1.00 13.24 H new ATOM 0 HA HIS A 4 -13.081 -18.938 37.078 1.00 2.24 H new ATOM 0 HB2 HIS A 4 -13.062 -19.186 39.547 1.00 21.53 H new ATOM 0 HB3 HIS A 4 -11.619 -20.176 39.455 1.00 21.53 H new ATOM 0 HD2 HIS A 4 -12.367 -16.497 38.115 1.00 2.35 H new ATOM 0 HE1 HIS A 4 -8.625 -16.568 40.102 1.00 12.52 H new ATOM 0 HE2 HIS A 4 -10.294 -15.103 38.859 1.00 23.22 H new ATOM 66 N HIS A 5 -10.757 -21.142 36.567 1.00 20.11 N ATOM 67 CA HIS A 5 -9.543 -21.379 35.791 1.00 2.30 C ATOM 68 C HIS A 5 -9.828 -21.179 34.300 1.00 35.03 C ATOM 69 O HIS A 5 -10.375 -22.052 33.627 1.00 10.12 O ATOM 70 CB HIS A 5 -8.931 -22.771 36.080 1.00 45.33 C ATOM 71 CG HIS A 5 -9.656 -23.950 35.486 1.00 20.24 C ATOM 72 ND1 HIS A 5 -10.718 -24.577 36.098 1.00 1.12 N ATOM 73 CD2 HIS A 5 -9.433 -24.635 34.337 1.00 70.42 C ATOM 74 CE1 HIS A 5 -11.113 -25.593 35.352 1.00 54.11 C ATOM 75 NE2 HIS A 5 -10.352 -25.651 34.279 1.00 65.31 N ATOM 0 H HIS A 5 -11.182 -21.978 36.969 1.00 20.11 H new ATOM 0 HA HIS A 5 -8.794 -20.649 36.099 1.00 2.30 H new ATOM 0 HB2 HIS A 5 -7.905 -22.778 35.712 1.00 45.33 H new ATOM 0 HB3 HIS A 5 -8.883 -22.907 37.160 1.00 45.33 H new ATOM 0 HD2 HIS A 5 -8.671 -24.420 33.602 1.00 70.42 H new ATOM 0 HE1 HIS A 5 -11.926 -26.265 35.584 1.00 54.11 H new ATOM 0 HE2 HIS A 5 -10.433 -26.338 33.529 1.00 65.31 H new ATOM 84 N HIS A 6 -9.512 -19.987 33.806 1.00 2.12 N ATOM 85 CA HIS A 6 -9.689 -19.660 32.395 1.00 21.02 C ATOM 86 C HIS A 6 -8.381 -19.857 31.643 1.00 30.44 C ATOM 87 O HIS A 6 -7.301 -19.577 32.174 1.00 31.31 O ATOM 88 CB HIS A 6 -10.183 -18.214 32.234 1.00 72.21 C ATOM 89 CG HIS A 6 -11.612 -18.007 32.656 1.00 15.52 C ATOM 90 ND1 HIS A 6 -12.440 -17.079 32.064 1.00 52.44 N ATOM 91 CD2 HIS A 6 -12.353 -18.604 33.620 1.00 2.34 C ATOM 92 CE1 HIS A 6 -13.624 -17.114 32.643 1.00 72.32 C ATOM 93 NE2 HIS A 6 -13.601 -18.031 33.590 1.00 75.42 N ATOM 0 H HIS A 6 -9.129 -19.226 34.366 1.00 2.12 H new ATOM 0 HA HIS A 6 -10.440 -20.329 31.976 1.00 21.02 H new ATOM 0 HB2 HIS A 6 -9.542 -17.554 32.819 1.00 72.21 H new ATOM 0 HB3 HIS A 6 -10.076 -17.918 31.190 1.00 72.21 H new ATOM 0 HD2 HIS A 6 -12.024 -19.386 34.288 1.00 2.34 H new ATOM 0 HE1 HIS A 6 -14.471 -16.495 32.385 1.00 72.32 H new ATOM 0 HE2 HIS A 6 -14.381 -18.275 34.200 1.00 75.42 H new ATOM 102 N HIS A 7 -8.477 -20.346 30.414 1.00 51.20 N ATOM 103 CA HIS A 7 -7.297 -20.583 29.594 1.00 3.43 C ATOM 104 C HIS A 7 -6.716 -19.257 29.125 1.00 40.44 C ATOM 105 O HIS A 7 -7.240 -18.624 28.204 1.00 34.52 O ATOM 106 CB HIS A 7 -7.628 -21.470 28.390 1.00 11.24 C ATOM 107 CG HIS A 7 -6.428 -21.777 27.542 1.00 4.03 C ATOM 108 ND1 HIS A 7 -6.165 -21.143 26.347 1.00 43.41 N ATOM 109 CD2 HIS A 7 -5.408 -22.647 27.734 1.00 14.11 C ATOM 110 CE1 HIS A 7 -5.038 -21.607 25.842 1.00 74.21 C ATOM 111 NE2 HIS A 7 -4.558 -22.521 26.664 1.00 72.13 N ATOM 0 H HIS A 7 -9.360 -20.586 29.963 1.00 51.20 H new ATOM 0 HA HIS A 7 -6.558 -21.104 30.203 1.00 3.43 H new ATOM 0 HB2 HIS A 7 -8.066 -22.404 28.743 1.00 11.24 H new ATOM 0 HB3 HIS A 7 -8.382 -20.976 27.778 1.00 11.24 H new ATOM 0 HD2 HIS A 7 -5.286 -23.316 28.573 1.00 14.11 H new ATOM 0 HE1 HIS A 7 -4.585 -21.292 24.913 1.00 74.21 H new ATOM 0 HE2 HIS A 7 -3.696 -23.048 26.526 1.00 72.13 H new ATOM 120 N HIS A 8 -5.645 -18.833 29.777 1.00 42.20 N ATOM 121 CA HIS A 8 -5.006 -17.561 29.469 1.00 54.32 C ATOM 122 C HIS A 8 -4.262 -17.651 28.140 1.00 14.23 C ATOM 123 O HIS A 8 -3.210 -18.286 28.048 1.00 30.01 O ATOM 124 CB HIS A 8 -4.048 -17.161 30.599 1.00 42.12 C ATOM 125 CG HIS A 8 -4.706 -17.139 31.947 1.00 44.43 C ATOM 126 ND1 HIS A 8 -4.519 -18.127 32.889 1.00 52.21 N ATOM 127 CD2 HIS A 8 -5.565 -16.251 32.503 1.00 71.15 C ATOM 128 CE1 HIS A 8 -5.237 -17.849 33.961 1.00 65.51 C ATOM 129 NE2 HIS A 8 -5.879 -16.717 33.754 1.00 43.35 N ATOM 0 H HIS A 8 -5.196 -19.355 30.529 1.00 42.20 H new ATOM 0 HA HIS A 8 -5.775 -16.794 29.381 1.00 54.32 H new ATOM 0 HB2 HIS A 8 -3.210 -17.858 30.621 1.00 42.12 H new ATOM 0 HB3 HIS A 8 -3.636 -16.175 30.386 1.00 42.12 H new ATOM 0 HD2 HIS A 8 -5.934 -15.345 32.046 1.00 71.15 H new ATOM 0 HE1 HIS A 8 -5.290 -18.449 34.858 1.00 65.51 H new ATOM 0 HE2 HIS A 8 -6.507 -16.262 34.416 1.00 43.35 H new ATOM 138 N MET A 9 -4.833 -17.039 27.106 1.00 23.32 N ATOM 139 CA MET A 9 -4.212 -17.013 25.783 1.00 71.44 C ATOM 140 C MET A 9 -3.000 -16.087 25.796 1.00 1.00 C ATOM 141 O MET A 9 -2.057 -16.267 25.022 1.00 40.20 O ATOM 142 CB MET A 9 -5.223 -16.564 24.711 1.00 4.20 C ATOM 143 CG MET A 9 -5.780 -15.158 24.920 1.00 22.14 C ATOM 144 SD MET A 9 -7.042 -14.715 23.703 1.00 10.01 S ATOM 145 CE MET A 9 -6.106 -14.826 22.179 1.00 50.54 C ATOM 0 H MET A 9 -5.728 -16.553 27.158 1.00 23.32 H new ATOM 0 HA MET A 9 -3.884 -18.022 25.534 1.00 71.44 H new ATOM 0 HB2 MET A 9 -4.742 -16.610 23.734 1.00 4.20 H new ATOM 0 HB3 MET A 9 -6.052 -17.271 24.692 1.00 4.20 H new ATOM 0 HG2 MET A 9 -6.206 -15.086 25.921 1.00 22.14 H new ATOM 0 HG3 MET A 9 -4.964 -14.438 24.869 1.00 22.14 H new ATOM 0 HE1 MET A 9 -6.639 -14.302 21.386 1.00 50.54 H new ATOM 0 HE2 MET A 9 -5.126 -14.371 22.320 1.00 50.54 H new ATOM 0 HE3 MET A 9 -5.983 -15.873 21.903 1.00 50.54 H new ATOM 155 N GLY A 10 -3.038 -15.106 26.696 1.00 70.42 N ATOM 156 CA GLY A 10 -1.936 -14.175 26.850 1.00 4.22 C ATOM 157 C GLY A 10 -1.859 -13.170 25.717 1.00 11.54 C ATOM 158 O GLY A 10 -2.719 -13.149 24.830 1.00 43.14 O ATOM 0 H GLY A 10 -3.822 -14.940 27.327 1.00 70.42 H new ATOM 0 HA2 GLY A 10 -2.044 -13.643 27.796 1.00 4.22 H new ATOM 0 HA3 GLY A 10 -1.000 -14.731 26.902 1.00 4.22 H new ATOM 162 N THR A 11 -0.828 -12.335 25.743 1.00 30.30 N ATOM 163 CA THR A 11 -0.618 -11.336 24.704 1.00 71.33 C ATOM 164 C THR A 11 0.833 -11.370 24.221 1.00 70.45 C ATOM 165 O THR A 11 1.773 -11.268 25.017 1.00 63.24 O ATOM 166 CB THR A 11 -0.991 -9.915 25.204 1.00 73.21 C ATOM 167 OG1 THR A 11 -0.744 -8.950 24.174 1.00 51.32 O ATOM 168 CG2 THR A 11 -0.215 -9.535 26.463 1.00 4.33 C ATOM 0 H THR A 11 -0.120 -12.331 26.477 1.00 30.30 H new ATOM 0 HA THR A 11 -1.274 -11.577 23.867 1.00 71.33 H new ATOM 0 HB THR A 11 -2.052 -9.923 25.453 1.00 73.21 H new ATOM 0 HG1 THR A 11 -0.984 -8.057 24.498 1.00 51.32 H new ATOM 0 HG21 THR A 11 -0.505 -8.533 26.781 1.00 4.33 H new ATOM 0 HG22 THR A 11 -0.439 -10.247 27.257 1.00 4.33 H new ATOM 0 HG23 THR A 11 0.854 -9.553 26.251 1.00 4.33 H new ATOM 176 N LEU A 12 1.010 -11.552 22.916 1.00 70.31 N ATOM 177 CA LEU A 12 2.335 -11.582 22.308 1.00 31.31 C ATOM 178 C LEU A 12 2.655 -10.215 21.712 1.00 33.35 C ATOM 179 O LEU A 12 2.307 -9.929 20.565 1.00 45.20 O ATOM 180 CB LEU A 12 2.422 -12.675 21.222 1.00 64.13 C ATOM 181 CG LEU A 12 2.321 -14.134 21.718 1.00 15.25 C ATOM 182 CD1 LEU A 12 3.362 -14.415 22.802 1.00 73.24 C ATOM 183 CD2 LEU A 12 0.912 -14.460 22.214 1.00 44.10 C ATOM 0 H LEU A 12 0.245 -11.682 22.255 1.00 70.31 H new ATOM 0 HA LEU A 12 3.067 -11.820 23.080 1.00 31.31 H new ATOM 0 HB2 LEU A 12 1.626 -12.503 20.497 1.00 64.13 H new ATOM 0 HB3 LEU A 12 3.367 -12.557 20.692 1.00 64.13 H new ATOM 0 HG LEU A 12 2.530 -14.786 20.870 1.00 15.25 H new ATOM 0 HD11 LEU A 12 3.271 -15.449 23.135 1.00 73.24 H new ATOM 0 HD12 LEU A 12 4.361 -14.251 22.398 1.00 73.24 H new ATOM 0 HD13 LEU A 12 3.197 -13.746 23.647 1.00 73.24 H new ATOM 0 HD21 LEU A 12 0.877 -15.495 22.556 1.00 44.10 H new ATOM 0 HD22 LEU A 12 0.654 -13.796 23.039 1.00 44.10 H new ATOM 0 HD23 LEU A 12 0.199 -14.322 21.401 1.00 44.10 H new ATOM 195 N GLU A 13 3.290 -9.364 22.512 1.00 63.13 N ATOM 196 CA GLU A 13 3.630 -8.010 22.089 1.00 33.05 C ATOM 197 C GLU A 13 5.009 -7.990 21.427 1.00 3.23 C ATOM 198 O GLU A 13 6.037 -7.930 22.102 1.00 63.02 O ATOM 199 CB GLU A 13 3.575 -7.044 23.289 1.00 35.04 C ATOM 200 CG GLU A 13 4.400 -7.497 24.494 1.00 1.34 C ATOM 201 CD GLU A 13 4.428 -6.466 25.610 1.00 13.32 C ATOM 202 OE1 GLU A 13 5.230 -5.508 25.523 1.00 14.30 O ATOM 203 OE2 GLU A 13 3.650 -6.599 26.577 1.00 62.22 O ATOM 0 H GLU A 13 3.581 -9.591 23.463 1.00 63.13 H new ATOM 0 HA GLU A 13 2.898 -7.676 21.354 1.00 33.05 H new ATOM 0 HB2 GLU A 13 3.928 -6.064 22.969 1.00 35.04 H new ATOM 0 HB3 GLU A 13 2.537 -6.924 23.598 1.00 35.04 H new ATOM 0 HG2 GLU A 13 3.990 -8.431 24.879 1.00 1.34 H new ATOM 0 HG3 GLU A 13 5.420 -7.705 24.172 1.00 1.34 H new ATOM 210 N ALA A 14 5.031 -8.082 20.102 1.00 63.02 N ATOM 211 CA ALA A 14 6.286 -8.066 19.362 1.00 54.50 C ATOM 212 C ALA A 14 6.095 -7.502 17.956 1.00 41.34 C ATOM 213 O ALA A 14 5.983 -8.252 16.985 1.00 64.41 O ATOM 214 CB ALA A 14 6.892 -9.468 19.308 1.00 32.10 C ATOM 0 H ALA A 14 4.197 -8.168 19.521 1.00 63.02 H new ATOM 0 HA ALA A 14 6.979 -7.410 19.888 1.00 54.50 H new ATOM 0 HB1 ALA A 14 7.829 -9.438 18.752 1.00 32.10 H new ATOM 0 HB2 ALA A 14 7.083 -9.821 20.321 1.00 32.10 H new ATOM 0 HB3 ALA A 14 6.197 -10.146 18.812 1.00 32.10 H new ATOM 220 N GLN A 15 6.024 -6.177 17.854 1.00 51.23 N ATOM 221 CA GLN A 15 6.007 -5.517 16.553 1.00 74.12 C ATOM 222 C GLN A 15 7.449 -5.333 16.075 1.00 21.12 C ATOM 223 O GLN A 15 8.045 -4.260 16.206 1.00 32.41 O ATOM 224 CB GLN A 15 5.243 -4.177 16.603 1.00 32.55 C ATOM 225 CG GLN A 15 5.758 -3.185 17.644 1.00 64.41 C ATOM 226 CD GLN A 15 5.032 -1.847 17.591 1.00 41.04 C ATOM 227 OE1 GLN A 15 4.566 -1.418 16.535 1.00 35.04 O ATOM 228 NE2 GLN A 15 4.939 -1.174 18.726 1.00 52.31 N ATOM 0 H GLN A 15 5.978 -5.543 18.652 1.00 51.23 H new ATOM 0 HA GLN A 15 5.471 -6.143 15.839 1.00 74.12 H new ATOM 0 HB2 GLN A 15 5.293 -3.709 15.620 1.00 32.55 H new ATOM 0 HB3 GLN A 15 4.192 -4.382 16.805 1.00 32.55 H new ATOM 0 HG2 GLN A 15 5.644 -3.616 18.638 1.00 64.41 H new ATOM 0 HG3 GLN A 15 6.824 -3.022 17.488 1.00 64.41 H new ATOM 0 HE21 GLN A 15 5.337 -1.560 19.582 1.00 52.31 H new ATOM 0 HE22 GLN A 15 4.469 -0.269 18.745 1.00 52.31 H new ATOM 237 N THR A 16 8.021 -6.420 15.573 1.00 5.34 N ATOM 238 CA THR A 16 9.417 -6.440 15.173 1.00 23.11 C ATOM 239 C THR A 16 9.653 -5.588 13.924 1.00 55.44 C ATOM 240 O THR A 16 9.487 -6.059 12.796 1.00 33.14 O ATOM 241 CB THR A 16 9.899 -7.886 14.926 1.00 3.54 C ATOM 242 OG1 THR A 16 9.009 -8.553 14.018 1.00 55.22 O ATOM 243 CG2 THR A 16 9.972 -8.673 16.229 1.00 1.22 C ATOM 0 H THR A 16 7.533 -7.305 15.433 1.00 5.34 H new ATOM 0 HA THR A 16 9.995 -6.012 15.992 1.00 23.11 H new ATOM 0 HB THR A 16 10.898 -7.836 14.494 1.00 3.54 H new ATOM 0 HG1 THR A 16 8.849 -7.982 13.238 1.00 55.22 H new ATOM 0 HG21 THR A 16 10.314 -9.687 16.023 1.00 1.22 H new ATOM 0 HG22 THR A 16 10.670 -8.186 16.910 1.00 1.22 H new ATOM 0 HG23 THR A 16 8.984 -8.710 16.688 1.00 1.22 H new ATOM 251 N GLN A 17 10.003 -4.326 14.147 1.00 62.44 N ATOM 252 CA GLN A 17 10.351 -3.401 13.073 1.00 5.03 C ATOM 253 C GLN A 17 11.637 -2.662 13.431 1.00 40.25 C ATOM 254 O GLN A 17 11.953 -2.483 14.613 1.00 25.41 O ATOM 255 CB GLN A 17 9.216 -2.393 12.822 1.00 50.23 C ATOM 256 CG GLN A 17 7.926 -3.023 12.308 1.00 2.14 C ATOM 257 CD GLN A 17 6.859 -1.989 11.990 1.00 41.33 C ATOM 258 OE1 GLN A 17 6.048 -1.633 12.843 1.00 64.24 O ATOM 259 NE2 GLN A 17 6.856 -1.496 10.760 1.00 23.31 N ATOM 0 H GLN A 17 10.054 -3.914 15.079 1.00 62.44 H new ATOM 0 HA GLN A 17 10.502 -3.974 12.158 1.00 5.03 H new ATOM 0 HB2 GLN A 17 9.004 -1.863 13.750 1.00 50.23 H new ATOM 0 HB3 GLN A 17 9.557 -1.650 12.101 1.00 50.23 H new ATOM 0 HG2 GLN A 17 8.142 -3.605 11.412 1.00 2.14 H new ATOM 0 HG3 GLN A 17 7.542 -3.718 13.055 1.00 2.14 H new ATOM 0 HE21 GLN A 17 7.546 -1.817 10.080 1.00 23.31 H new ATOM 0 HE22 GLN A 17 6.164 -0.796 10.493 1.00 23.31 H new ATOM 268 N GLY A 18 12.377 -2.254 12.410 1.00 44.31 N ATOM 269 CA GLY A 18 13.624 -1.543 12.620 1.00 21.21 C ATOM 270 C GLY A 18 13.456 -0.041 12.499 1.00 4.10 C ATOM 271 O GLY A 18 12.332 0.450 12.388 1.00 52.31 O ATOM 0 H GLY A 18 12.134 -2.404 11.431 1.00 44.31 H new ATOM 0 HA2 GLY A 18 14.016 -1.784 13.608 1.00 21.21 H new ATOM 0 HA3 GLY A 18 14.361 -1.884 11.893 1.00 21.21 H new ATOM 275 N PRO A 19 14.565 0.718 12.500 1.00 65.21 N ATOM 276 CA PRO A 19 14.529 2.183 12.410 1.00 54.05 C ATOM 277 C PRO A 19 14.302 2.683 10.978 1.00 65.22 C ATOM 278 O PRO A 19 14.608 3.835 10.661 1.00 42.01 O ATOM 279 CB PRO A 19 15.916 2.587 12.924 1.00 53.13 C ATOM 280 CG PRO A 19 16.802 1.454 12.529 1.00 23.14 C ATOM 281 CD PRO A 19 15.950 0.206 12.598 1.00 31.31 C ATOM 0 HA PRO A 19 13.704 2.614 12.977 1.00 54.05 H new ATOM 0 HB2 PRO A 19 16.247 3.525 12.478 1.00 53.13 H new ATOM 0 HB3 PRO A 19 15.913 2.731 14.004 1.00 53.13 H new ATOM 0 HG2 PRO A 19 17.196 1.601 11.523 1.00 23.14 H new ATOM 0 HG3 PRO A 19 17.658 1.378 13.199 1.00 23.14 H new ATOM 0 HD2 PRO A 19 16.181 -0.481 11.784 1.00 31.31 H new ATOM 0 HD3 PRO A 19 16.111 -0.337 13.529 1.00 31.31 H new ATOM 289 N GLY A 20 13.788 1.809 10.112 1.00 21.24 N ATOM 290 CA GLY A 20 13.422 2.218 8.767 1.00 2.42 C ATOM 291 C GLY A 20 12.257 3.187 8.789 1.00 41.25 C ATOM 292 O GLY A 20 12.362 4.316 8.302 1.00 42.42 O ATOM 0 H GLY A 20 13.619 0.825 10.320 1.00 21.24 H new ATOM 0 HA2 GLY A 20 14.278 2.685 8.280 1.00 2.42 H new ATOM 0 HA3 GLY A 20 13.158 1.341 8.176 1.00 2.42 H new ATOM 296 N SER A 21 11.143 2.726 9.357 1.00 14.25 N ATOM 297 CA SER A 21 9.978 3.568 9.614 1.00 22.24 C ATOM 298 C SER A 21 9.379 4.106 8.311 1.00 33.21 C ATOM 299 O SER A 21 8.676 5.117 8.311 1.00 23.53 O ATOM 300 CB SER A 21 10.365 4.721 10.560 1.00 52.14 C ATOM 301 OG SER A 21 9.233 5.481 10.950 1.00 45.32 O ATOM 0 H SER A 21 11.024 1.757 9.652 1.00 14.25 H new ATOM 0 HA SER A 21 9.212 2.959 10.094 1.00 22.24 H new ATOM 0 HB2 SER A 21 10.855 4.316 11.446 1.00 52.14 H new ATOM 0 HB3 SER A 21 11.087 5.371 10.066 1.00 52.14 H new ATOM 0 HG SER A 21 8.650 5.620 10.175 1.00 45.32 H new ATOM 307 N MET A 22 9.630 3.411 7.207 1.00 33.10 N ATOM 308 CA MET A 22 9.110 3.832 5.907 1.00 1.04 C ATOM 309 C MET A 22 7.640 3.445 5.772 1.00 12.51 C ATOM 310 O MET A 22 6.880 4.091 5.050 1.00 74.10 O ATOM 311 CB MET A 22 9.931 3.219 4.767 1.00 60.15 C ATOM 312 CG MET A 22 11.390 3.659 4.756 1.00 13.33 C ATOM 313 SD MET A 22 11.584 5.455 4.646 1.00 12.53 S ATOM 314 CE MET A 22 10.767 5.802 3.088 1.00 32.32 C ATOM 0 H MET A 22 10.187 2.557 7.184 1.00 33.10 H new ATOM 0 HA MET A 22 9.193 4.917 5.841 1.00 1.04 H new ATOM 0 HB2 MET A 22 9.889 2.133 4.845 1.00 60.15 H new ATOM 0 HB3 MET A 22 9.472 3.488 3.816 1.00 60.15 H new ATOM 0 HG2 MET A 22 11.879 3.301 5.662 1.00 13.33 H new ATOM 0 HG3 MET A 22 11.899 3.191 3.913 1.00 13.33 H new ATOM 0 HE1 MET A 22 11.322 6.570 2.549 1.00 32.32 H new ATOM 0 HE2 MET A 22 10.728 4.893 2.487 1.00 32.32 H new ATOM 0 HE3 MET A 22 9.753 6.154 3.279 1.00 32.32 H new ATOM 324 N ILE A 23 7.254 2.386 6.476 1.00 15.44 N ATOM 325 CA ILE A 23 5.865 1.932 6.494 1.00 30.14 C ATOM 326 C ILE A 23 5.104 2.667 7.593 1.00 1.33 C ATOM 327 O ILE A 23 5.473 2.575 8.769 1.00 42.01 O ATOM 328 CB ILE A 23 5.768 0.404 6.752 1.00 15.31 C ATOM 329 CG1 ILE A 23 6.749 -0.369 5.852 1.00 55.54 C ATOM 330 CG2 ILE A 23 4.337 -0.088 6.538 1.00 1.10 C ATOM 331 CD1 ILE A 23 6.517 -0.179 4.367 1.00 2.43 C ATOM 0 H ILE A 23 7.886 1.823 7.045 1.00 15.44 H new ATOM 0 HA ILE A 23 5.430 2.146 5.518 1.00 30.14 H new ATOM 0 HB ILE A 23 6.044 0.218 7.790 1.00 15.31 H new ATOM 0 HG12 ILE A 23 7.766 -0.057 6.092 1.00 55.54 H new ATOM 0 HG13 ILE A 23 6.678 -1.431 6.086 1.00 55.54 H new ATOM 0 HG21 ILE A 23 4.290 -1.161 6.724 1.00 1.10 H new ATOM 0 HG22 ILE A 23 3.668 0.429 7.226 1.00 1.10 H new ATOM 0 HG23 ILE A 23 4.032 0.117 5.512 1.00 1.10 H new ATOM 0 HD11 ILE A 23 7.251 -0.758 3.807 1.00 2.43 H new ATOM 0 HD12 ILE A 23 5.514 -0.519 4.109 1.00 2.43 H new ATOM 0 HD13 ILE A 23 6.619 0.877 4.115 1.00 2.43 H new ATOM 343 N GLU A 24 4.063 3.407 7.224 1.00 24.53 N ATOM 344 CA GLU A 24 3.271 4.147 8.206 1.00 35.25 C ATOM 345 C GLU A 24 1.976 3.409 8.541 1.00 65.41 C ATOM 346 O GLU A 24 1.464 2.630 7.736 1.00 24.33 O ATOM 347 CB GLU A 24 2.967 5.576 7.724 1.00 72.11 C ATOM 348 CG GLU A 24 2.438 5.677 6.291 1.00 64.33 C ATOM 349 CD GLU A 24 3.504 6.087 5.283 1.00 51.11 C ATOM 350 OE1 GLU A 24 4.443 6.823 5.667 1.00 54.22 O ATOM 351 OE2 GLU A 24 3.395 5.721 4.095 1.00 31.30 O ATOM 0 H GLU A 24 3.748 3.511 6.259 1.00 24.53 H new ATOM 0 HA GLU A 24 3.869 4.218 9.115 1.00 35.25 H new ATOM 0 HB2 GLU A 24 2.236 6.023 8.398 1.00 72.11 H new ATOM 0 HB3 GLU A 24 3.877 6.171 7.802 1.00 72.11 H new ATOM 0 HG2 GLU A 24 2.020 4.714 5.996 1.00 64.33 H new ATOM 0 HG3 GLU A 24 1.623 6.400 6.262 1.00 64.33 H new ATOM 358 N GLN A 25 1.458 3.660 9.739 1.00 1.13 N ATOM 359 CA GLN A 25 0.240 3.011 10.222 1.00 72.15 C ATOM 360 C GLN A 25 -0.900 4.023 10.304 1.00 73.35 C ATOM 361 O GLN A 25 -0.682 5.187 10.657 1.00 43.54 O ATOM 362 CB GLN A 25 0.504 2.349 11.591 1.00 33.20 C ATOM 363 CG GLN A 25 1.139 3.275 12.635 1.00 43.20 C ATOM 364 CD GLN A 25 0.147 4.204 13.321 1.00 4.14 C ATOM 365 OE1 GLN A 25 -1.017 3.857 13.524 1.00 23.24 O ATOM 366 NE2 GLN A 25 0.594 5.400 13.674 1.00 15.10 N ATOM 0 H GLN A 25 1.868 4.317 10.403 1.00 1.13 H new ATOM 0 HA GLN A 25 -0.056 2.231 9.520 1.00 72.15 H new ATOM 0 HB2 GLN A 25 -0.439 1.971 11.985 1.00 33.20 H new ATOM 0 HB3 GLN A 25 1.156 1.488 11.444 1.00 33.20 H new ATOM 0 HG2 GLN A 25 1.635 2.667 13.391 1.00 43.20 H new ATOM 0 HG3 GLN A 25 1.910 3.875 12.152 1.00 43.20 H new ATOM 0 HE21 GLN A 25 1.564 5.656 13.491 1.00 15.10 H new ATOM 0 HE22 GLN A 25 -0.032 6.065 14.128 1.00 15.10 H new ATOM 375 N ILE A 26 -2.107 3.588 9.953 1.00 31.53 N ATOM 376 CA ILE A 26 -3.280 4.458 9.972 1.00 42.24 C ATOM 377 C ILE A 26 -4.503 3.713 10.490 1.00 52.54 C ATOM 378 O ILE A 26 -4.531 2.480 10.513 1.00 52.31 O ATOM 379 CB ILE A 26 -3.596 5.029 8.564 1.00 31.13 C ATOM 380 CG1 ILE A 26 -3.779 3.891 7.540 1.00 65.12 C ATOM 381 CG2 ILE A 26 -2.502 6.001 8.117 1.00 15.30 C ATOM 382 CD1 ILE A 26 -4.199 4.361 6.161 1.00 22.42 C ATOM 0 H ILE A 26 -2.299 2.633 9.650 1.00 31.53 H new ATOM 0 HA ILE A 26 -3.045 5.285 10.642 1.00 42.24 H new ATOM 0 HB ILE A 26 -4.534 5.581 8.621 1.00 31.13 H new ATOM 0 HG12 ILE A 26 -2.843 3.339 7.455 1.00 65.12 H new ATOM 0 HG13 ILE A 26 -4.527 3.193 7.918 1.00 65.12 H new ATOM 0 HG21 ILE A 26 -2.743 6.390 7.128 1.00 15.30 H new ATOM 0 HG22 ILE A 26 -2.437 6.827 8.826 1.00 15.30 H new ATOM 0 HG23 ILE A 26 -1.545 5.480 8.079 1.00 15.30 H new ATOM 0 HD11 ILE A 26 -4.306 3.501 5.500 1.00 22.42 H new ATOM 0 HD12 ILE A 26 -5.152 4.886 6.230 1.00 22.42 H new ATOM 0 HD13 ILE A 26 -3.442 5.034 5.760 1.00 22.42 H new ATOM 394 N GLY A 27 -5.506 4.472 10.913 1.00 3.40 N ATOM 395 CA GLY A 27 -6.748 3.884 11.371 1.00 4.32 C ATOM 396 C GLY A 27 -7.729 3.674 10.234 1.00 1.11 C ATOM 397 O GLY A 27 -7.526 4.179 9.127 1.00 34.13 O ATOM 0 H GLY A 27 -5.480 5.491 10.947 1.00 3.40 H new ATOM 0 HA2 GLY A 27 -6.541 2.928 11.853 1.00 4.32 H new ATOM 0 HA3 GLY A 27 -7.199 4.530 12.125 1.00 4.32 H new ATOM 401 N ASP A 28 -8.802 2.941 10.512 1.00 2.44 N ATOM 402 CA ASP A 28 -9.839 2.652 9.519 1.00 53.10 C ATOM 403 C ASP A 28 -10.420 3.945 8.951 1.00 74.54 C ATOM 404 O ASP A 28 -10.626 4.074 7.742 1.00 12.23 O ATOM 405 CB ASP A 28 -10.949 1.820 10.171 1.00 55.32 C ATOM 406 CG ASP A 28 -12.049 1.413 9.207 1.00 35.44 C ATOM 407 OD1 ASP A 28 -13.030 2.174 9.061 1.00 15.35 O ATOM 408 OD2 ASP A 28 -11.950 0.322 8.617 1.00 22.11 O ATOM 0 H ASP A 28 -8.980 2.530 11.428 1.00 2.44 H new ATOM 0 HA ASP A 28 -9.394 2.090 8.698 1.00 53.10 H new ATOM 0 HB2 ASP A 28 -10.510 0.923 10.608 1.00 55.32 H new ATOM 0 HB3 ASP A 28 -11.387 2.392 10.989 1.00 55.32 H new ATOM 413 N SER A 29 -10.657 4.908 9.835 1.00 13.24 N ATOM 414 CA SER A 29 -11.255 6.182 9.453 1.00 1.31 C ATOM 415 C SER A 29 -10.258 7.041 8.668 1.00 43.43 C ATOM 416 O SER A 29 -10.645 7.998 7.994 1.00 22.34 O ATOM 417 CB SER A 29 -11.739 6.929 10.707 1.00 55.14 C ATOM 418 OG SER A 29 -12.451 8.107 10.367 1.00 65.13 O ATOM 0 H SER A 29 -10.442 4.829 10.829 1.00 13.24 H new ATOM 0 HA SER A 29 -12.109 5.984 8.806 1.00 1.31 H new ATOM 0 HB2 SER A 29 -12.379 6.274 11.298 1.00 55.14 H new ATOM 0 HB3 SER A 29 -10.883 7.187 11.331 1.00 55.14 H new ATOM 0 HG SER A 29 -12.747 8.558 11.185 1.00 65.13 H new ATOM 424 N GLU A 30 -8.979 6.684 8.745 1.00 62.22 N ATOM 425 CA GLU A 30 -7.919 7.459 8.107 1.00 3.23 C ATOM 426 C GLU A 30 -7.765 7.103 6.631 1.00 2.20 C ATOM 427 O GLU A 30 -7.291 7.920 5.849 1.00 74.51 O ATOM 428 CB GLU A 30 -6.582 7.227 8.830 1.00 54.42 C ATOM 429 CG GLU A 30 -6.466 7.949 10.165 1.00 4.22 C ATOM 430 CD GLU A 30 -6.397 9.459 9.999 1.00 13.01 C ATOM 431 OE1 GLU A 30 -7.461 10.105 9.907 1.00 33.23 O ATOM 432 OE2 GLU A 30 -5.274 10.009 9.952 1.00 70.44 O ATOM 0 H GLU A 30 -8.650 5.858 9.246 1.00 62.22 H new ATOM 0 HA GLU A 30 -8.200 8.510 8.176 1.00 3.23 H new ATOM 0 HB2 GLU A 30 -6.451 6.158 8.995 1.00 54.42 H new ATOM 0 HB3 GLU A 30 -5.769 7.552 8.181 1.00 54.42 H new ATOM 0 HG2 GLU A 30 -7.322 7.693 10.790 1.00 4.22 H new ATOM 0 HG3 GLU A 30 -5.575 7.602 10.687 1.00 4.22 H new ATOM 439 N PHE A 31 -8.182 5.894 6.259 1.00 33.13 N ATOM 440 CA PHE A 31 -7.912 5.351 4.921 1.00 25.24 C ATOM 441 C PHE A 31 -8.182 6.372 3.805 1.00 65.15 C ATOM 442 O PHE A 31 -7.261 6.766 3.083 1.00 24.20 O ATOM 443 CB PHE A 31 -8.743 4.083 4.690 1.00 31.31 C ATOM 444 CG PHE A 31 -8.497 3.438 3.349 1.00 71.42 C ATOM 445 CD1 PHE A 31 -7.352 2.687 3.126 1.00 42.43 C ATOM 446 CD2 PHE A 31 -9.410 3.580 2.312 1.00 71.13 C ATOM 447 CE1 PHE A 31 -7.123 2.092 1.902 1.00 11.15 C ATOM 448 CE2 PHE A 31 -9.183 2.987 1.086 1.00 40.20 C ATOM 449 CZ PHE A 31 -8.039 2.242 0.881 1.00 22.10 C ATOM 0 H PHE A 31 -8.711 5.267 6.865 1.00 33.13 H new ATOM 0 HA PHE A 31 -6.850 5.107 4.881 1.00 25.24 H new ATOM 0 HB2 PHE A 31 -8.519 3.363 5.477 1.00 31.31 H new ATOM 0 HB3 PHE A 31 -9.801 4.331 4.776 1.00 31.31 H new ATOM 0 HD1 PHE A 31 -6.631 2.566 3.921 1.00 42.43 H new ATOM 0 HD2 PHE A 31 -10.307 4.161 2.466 1.00 71.13 H new ATOM 0 HE1 PHE A 31 -6.228 1.509 1.743 1.00 11.15 H new ATOM 0 HE2 PHE A 31 -9.900 3.106 0.287 1.00 40.20 H new ATOM 0 HZ PHE A 31 -7.861 1.777 -0.077 1.00 22.10 H new ATOM 459 N ASP A 32 -9.432 6.818 3.684 1.00 23.33 N ATOM 460 CA ASP A 32 -9.807 7.757 2.621 1.00 1.44 C ATOM 461 C ASP A 32 -9.025 9.052 2.750 1.00 72.31 C ATOM 462 O ASP A 32 -8.487 9.562 1.768 1.00 40.15 O ATOM 463 CB ASP A 32 -11.310 8.053 2.649 1.00 0.44 C ATOM 464 CG ASP A 32 -11.723 9.131 1.652 1.00 71.43 C ATOM 465 OD1 ASP A 32 -11.931 8.803 0.465 1.00 71.31 O ATOM 466 OD2 ASP A 32 -11.853 10.310 2.054 1.00 54.12 O ATOM 0 H ASP A 32 -10.198 6.549 4.302 1.00 23.33 H new ATOM 0 HA ASP A 32 -9.565 7.289 1.667 1.00 1.44 H new ATOM 0 HB2 ASP A 32 -11.859 7.137 2.433 1.00 0.44 H new ATOM 0 HB3 ASP A 32 -11.595 8.366 3.653 1.00 0.44 H new ATOM 471 N ASN A 33 -8.962 9.563 3.970 1.00 11.32 N ATOM 472 CA ASN A 33 -8.241 10.796 4.270 1.00 23.34 C ATOM 473 C ASN A 33 -6.846 10.763 3.659 1.00 54.54 C ATOM 474 O ASN A 33 -6.489 11.620 2.847 1.00 11.44 O ATOM 475 CB ASN A 33 -8.127 10.990 5.790 1.00 50.23 C ATOM 476 CG ASN A 33 -9.472 11.167 6.475 1.00 43.44 C ATOM 477 OD1 ASN A 33 -10.490 10.636 6.029 1.00 64.33 O ATOM 478 ND2 ASN A 33 -9.485 11.908 7.570 1.00 61.41 N ATOM 0 H ASN A 33 -9.408 9.136 4.782 1.00 11.32 H new ATOM 0 HA ASN A 33 -8.799 11.628 3.840 1.00 23.34 H new ATOM 0 HB2 ASN A 33 -7.617 10.129 6.222 1.00 50.23 H new ATOM 0 HB3 ASN A 33 -7.506 11.863 5.993 1.00 50.23 H new ATOM 0 HD21 ASN A 33 -10.359 12.056 8.075 1.00 61.41 H new ATOM 0 HD22 ASN A 33 -8.621 12.332 7.909 1.00 61.41 H new ATOM 485 N LYS A 34 -6.077 9.746 4.028 1.00 10.42 N ATOM 486 CA LYS A 34 -4.686 9.637 3.609 1.00 31.51 C ATOM 487 C LYS A 34 -4.606 9.464 2.093 1.00 31.40 C ATOM 488 O LYS A 34 -3.878 10.185 1.410 1.00 32.15 O ATOM 489 CB LYS A 34 -4.002 8.445 4.303 1.00 44.33 C ATOM 490 CG LYS A 34 -4.291 8.305 5.805 1.00 22.23 C ATOM 491 CD LYS A 34 -3.726 9.443 6.661 1.00 34.22 C ATOM 492 CE LYS A 34 -4.669 10.639 6.739 1.00 11.55 C ATOM 493 NZ LYS A 34 -4.297 11.581 7.826 1.00 24.40 N ATOM 0 H LYS A 34 -6.397 8.980 4.621 1.00 10.42 H new ATOM 0 HA LYS A 34 -4.169 10.553 3.895 1.00 31.51 H new ATOM 0 HB2 LYS A 34 -4.313 7.528 3.803 1.00 44.33 H new ATOM 0 HB3 LYS A 34 -2.925 8.534 4.164 1.00 44.33 H new ATOM 0 HG2 LYS A 34 -5.370 8.255 5.953 1.00 22.23 H new ATOM 0 HG3 LYS A 34 -3.877 7.360 6.157 1.00 22.23 H new ATOM 0 HD2 LYS A 34 -3.529 9.073 7.667 1.00 34.22 H new ATOM 0 HD3 LYS A 34 -2.770 9.764 6.247 1.00 34.22 H new ATOM 0 HE2 LYS A 34 -4.662 11.167 5.786 1.00 11.55 H new ATOM 0 HE3 LYS A 34 -5.688 10.286 6.900 1.00 11.55 H new ATOM 0 HZ1 LYS A 34 -4.779 12.491 7.677 1.00 24.40 H new ATOM 0 HZ2 LYS A 34 -4.584 11.183 8.743 1.00 24.40 H new ATOM 0 HZ3 LYS A 34 -3.268 11.729 7.820 1.00 24.40 H new ATOM 507 N VAL A 35 -5.392 8.520 1.576 1.00 62.12 N ATOM 508 CA VAL A 35 -5.345 8.161 0.162 1.00 45.22 C ATOM 509 C VAL A 35 -5.729 9.342 -0.740 1.00 54.02 C ATOM 510 O VAL A 35 -5.154 9.517 -1.815 1.00 52.41 O ATOM 511 CB VAL A 35 -6.252 6.936 -0.140 1.00 13.44 C ATOM 512 CG1 VAL A 35 -6.279 6.624 -1.636 1.00 33.11 C ATOM 513 CG2 VAL A 35 -5.780 5.712 0.652 1.00 22.13 C ATOM 0 H VAL A 35 -6.072 7.989 2.120 1.00 62.12 H new ATOM 0 HA VAL A 35 -4.313 7.890 -0.061 1.00 45.22 H new ATOM 0 HB VAL A 35 -7.267 7.185 0.171 1.00 13.44 H new ATOM 0 HG11 VAL A 35 -6.922 5.762 -1.816 1.00 33.11 H new ATOM 0 HG12 VAL A 35 -6.666 7.485 -2.180 1.00 33.11 H new ATOM 0 HG13 VAL A 35 -5.269 6.401 -1.980 1.00 33.11 H new ATOM 0 HG21 VAL A 35 -6.426 4.863 0.429 1.00 22.13 H new ATOM 0 HG22 VAL A 35 -4.754 5.471 0.372 1.00 22.13 H new ATOM 0 HG23 VAL A 35 -5.823 5.930 1.719 1.00 22.13 H new ATOM 523 N THR A 36 -6.688 10.154 -0.305 1.00 21.24 N ATOM 524 CA THR A 36 -7.111 11.311 -1.092 1.00 53.31 C ATOM 525 C THR A 36 -6.119 12.477 -0.972 1.00 65.11 C ATOM 526 O THR A 36 -5.715 13.059 -1.976 1.00 42.20 O ATOM 527 CB THR A 36 -8.520 11.793 -0.679 1.00 31.42 C ATOM 528 OG1 THR A 36 -8.558 12.047 0.733 1.00 3.43 O ATOM 529 CG2 THR A 36 -9.584 10.761 -1.044 1.00 53.22 C ATOM 0 H THR A 36 -7.183 10.036 0.579 1.00 21.24 H new ATOM 0 HA THR A 36 -7.139 10.982 -2.131 1.00 53.31 H new ATOM 0 HB THR A 36 -8.734 12.714 -1.221 1.00 31.42 H new ATOM 0 HG1 THR A 36 -8.809 11.226 1.206 1.00 3.43 H new ATOM 0 HG21 THR A 36 -10.565 11.127 -0.742 1.00 53.22 H new ATOM 0 HG22 THR A 36 -9.575 10.595 -2.121 1.00 53.22 H new ATOM 0 HG23 THR A 36 -9.373 9.823 -0.530 1.00 53.22 H new ATOM 537 N SER A 37 -5.709 12.794 0.258 1.00 21.42 N ATOM 538 CA SER A 37 -4.906 13.996 0.522 1.00 60.33 C ATOM 539 C SER A 37 -3.430 13.838 0.129 1.00 44.21 C ATOM 540 O SER A 37 -2.604 14.692 0.464 1.00 33.00 O ATOM 541 CB SER A 37 -5.015 14.379 2.006 1.00 42.21 C ATOM 542 OG SER A 37 -4.555 13.334 2.853 1.00 41.33 O ATOM 0 H SER A 37 -5.918 12.238 1.087 1.00 21.42 H new ATOM 0 HA SER A 37 -5.312 14.790 -0.105 1.00 60.33 H new ATOM 0 HB2 SER A 37 -4.433 15.282 2.193 1.00 42.21 H new ATOM 0 HB3 SER A 37 -6.052 14.613 2.246 1.00 42.21 H new ATOM 0 HG SER A 37 -5.302 12.740 3.076 1.00 41.33 H new ATOM 548 N CYS A 38 -3.095 12.770 -0.589 1.00 1.02 N ATOM 549 CA CYS A 38 -1.707 12.527 -0.984 1.00 62.33 C ATOM 550 C CYS A 38 -1.287 13.421 -2.145 1.00 33.31 C ATOM 551 O CYS A 38 -1.268 12.987 -3.299 1.00 10.12 O ATOM 552 CB CYS A 38 -1.487 11.066 -1.356 1.00 22.30 C ATOM 553 SG CYS A 38 -2.562 10.453 -2.680 1.00 3.33 S ATOM 0 H CYS A 38 -3.758 12.063 -0.908 1.00 1.02 H new ATOM 0 HA CYS A 38 -1.087 12.769 -0.121 1.00 62.33 H new ATOM 0 HB2 CYS A 38 -0.448 10.935 -1.659 1.00 22.30 H new ATOM 0 HB3 CYS A 38 -1.640 10.452 -0.468 1.00 22.30 H new ATOM 0 HG CYS A 38 -3.509 9.724 -2.168 1.00 3.33 H new ATOM 559 N ASN A 39 -0.960 14.665 -1.811 1.00 64.23 N ATOM 560 CA ASN A 39 -0.501 15.681 -2.766 1.00 22.22 C ATOM 561 C ASN A 39 -1.133 15.518 -4.157 1.00 63.14 C ATOM 562 O ASN A 39 -2.238 16.003 -4.402 1.00 31.20 O ATOM 563 CB ASN A 39 1.037 15.699 -2.862 1.00 53.22 C ATOM 564 CG ASN A 39 1.557 16.835 -3.736 1.00 71.05 C ATOM 565 OD1 ASN A 39 0.942 17.900 -3.825 1.00 73.31 O ATOM 566 ND2 ASN A 39 2.692 16.621 -4.386 1.00 14.21 N ATOM 0 H ASN A 39 -1.006 15.007 -0.851 1.00 64.23 H new ATOM 0 HA ASN A 39 -0.836 16.643 -2.378 1.00 22.22 H new ATOM 0 HB2 ASN A 39 1.459 15.793 -1.861 1.00 53.22 H new ATOM 0 HB3 ASN A 39 1.383 14.747 -3.265 1.00 53.22 H new ATOM 0 HD21 ASN A 39 3.083 17.350 -4.983 1.00 14.21 H new ATOM 0 HD22 ASN A 39 3.174 15.728 -4.289 1.00 14.21 H new ATOM 573 N ASP A 40 -0.431 14.820 -5.054 1.00 12.40 N ATOM 574 CA ASP A 40 -0.932 14.548 -6.396 1.00 60.32 C ATOM 575 C ASP A 40 -0.154 13.388 -7.013 1.00 23.42 C ATOM 576 O ASP A 40 1.059 13.276 -6.819 1.00 52.24 O ATOM 577 CB ASP A 40 -0.835 15.787 -7.308 1.00 4.25 C ATOM 578 CG ASP A 40 0.593 16.123 -7.729 1.00 4.40 C ATOM 579 OD1 ASP A 40 1.074 15.550 -8.733 1.00 1.51 O ATOM 580 OD2 ASP A 40 1.236 16.967 -7.069 1.00 30.21 O ATOM 0 H ASP A 40 0.494 14.432 -4.868 1.00 12.40 H new ATOM 0 HA ASP A 40 -1.986 14.283 -6.309 1.00 60.32 H new ATOM 0 HB2 ASP A 40 -1.438 15.620 -8.200 1.00 4.25 H new ATOM 0 HB3 ASP A 40 -1.264 16.645 -6.789 1.00 4.25 H new ATOM 585 N ASN A 41 -0.869 12.522 -7.726 1.00 53.45 N ATOM 586 CA ASN A 41 -0.273 11.396 -8.458 1.00 10.24 C ATOM 587 C ASN A 41 0.618 10.524 -7.567 1.00 31.25 C ATOM 588 O ASN A 41 1.463 9.780 -8.065 1.00 2.11 O ATOM 589 CB ASN A 41 0.523 11.900 -9.675 1.00 73.21 C ATOM 590 CG ASN A 41 -0.363 12.545 -10.724 1.00 44.43 C ATOM 591 OD1 ASN A 41 -0.892 11.867 -11.611 1.00 10.14 O ATOM 592 ND2 ASN A 41 -0.529 13.855 -10.639 1.00 60.42 N ATOM 0 H ASN A 41 -1.884 12.577 -7.816 1.00 53.45 H new ATOM 0 HA ASN A 41 -1.098 10.772 -8.802 1.00 10.24 H new ATOM 0 HB2 ASN A 41 1.270 12.621 -9.343 1.00 73.21 H new ATOM 0 HB3 ASN A 41 1.062 11.065 -10.123 1.00 73.21 H new ATOM 0 HD21 ASN A 41 -1.111 14.341 -11.321 1.00 60.42 H new ATOM 0 HD22 ASN A 41 -0.075 14.379 -9.891 1.00 60.42 H new ATOM 599 N ILE A 42 0.413 10.596 -6.254 1.00 64.22 N ATOM 600 CA ILE A 42 1.195 9.799 -5.316 1.00 51.25 C ATOM 601 C ILE A 42 0.728 8.343 -5.332 1.00 41.33 C ATOM 602 O ILE A 42 -0.469 8.062 -5.219 1.00 22.10 O ATOM 603 CB ILE A 42 1.108 10.360 -3.873 1.00 4.31 C ATOM 604 CG1 ILE A 42 1.654 11.798 -3.819 1.00 52.13 C ATOM 605 CG2 ILE A 42 1.861 9.461 -2.889 1.00 44.13 C ATOM 606 CD1 ILE A 42 3.110 11.926 -4.230 1.00 2.44 C ATOM 0 H ILE A 42 -0.286 11.197 -5.818 1.00 64.22 H new ATOM 0 HA ILE A 42 2.235 9.850 -5.637 1.00 51.25 H new ATOM 0 HB ILE A 42 0.058 10.377 -3.579 1.00 4.31 H new ATOM 0 HG12 ILE A 42 1.048 12.430 -4.468 1.00 52.13 H new ATOM 0 HG13 ILE A 42 1.539 12.181 -2.805 1.00 52.13 H new ATOM 0 HG21 ILE A 42 1.784 9.877 -1.884 1.00 44.13 H new ATOM 0 HG22 ILE A 42 1.425 8.462 -2.902 1.00 44.13 H new ATOM 0 HG23 ILE A 42 2.910 9.403 -3.179 1.00 44.13 H new ATOM 0 HD11 ILE A 42 3.416 12.970 -4.164 1.00 2.44 H new ATOM 0 HD12 ILE A 42 3.730 11.323 -3.566 1.00 2.44 H new ATOM 0 HD13 ILE A 42 3.231 11.576 -5.255 1.00 2.44 H new ATOM 618 N LEU A 43 1.683 7.435 -5.494 1.00 61.40 N ATOM 619 CA LEU A 43 1.417 6.003 -5.500 1.00 21.12 C ATOM 620 C LEU A 43 1.398 5.493 -4.056 1.00 22.14 C ATOM 621 O LEU A 43 2.430 5.466 -3.374 1.00 4.14 O ATOM 622 CB LEU A 43 2.492 5.268 -6.327 1.00 54.45 C ATOM 623 CG LEU A 43 2.053 3.957 -7.015 1.00 14.52 C ATOM 624 CD1 LEU A 43 1.508 2.944 -6.013 1.00 14.32 C ATOM 625 CD2 LEU A 43 1.020 4.237 -8.101 1.00 43.24 C ATOM 0 H LEU A 43 2.666 7.673 -5.625 1.00 61.40 H new ATOM 0 HA LEU A 43 0.448 5.809 -5.959 1.00 21.12 H new ATOM 0 HB2 LEU A 43 2.858 5.950 -7.094 1.00 54.45 H new ATOM 0 HB3 LEU A 43 3.334 5.044 -5.671 1.00 54.45 H new ATOM 0 HG LEU A 43 2.940 3.522 -7.476 1.00 14.52 H new ATOM 0 HD11 LEU A 43 1.211 2.036 -6.538 1.00 14.32 H new ATOM 0 HD12 LEU A 43 2.280 2.704 -5.282 1.00 14.32 H new ATOM 0 HD13 LEU A 43 0.643 3.367 -5.502 1.00 14.32 H new ATOM 0 HD21 LEU A 43 0.725 3.300 -8.573 1.00 43.24 H new ATOM 0 HD22 LEU A 43 0.145 4.711 -7.657 1.00 43.24 H new ATOM 0 HD23 LEU A 43 1.451 4.900 -8.851 1.00 43.24 H new ATOM 637 N ILE A 44 0.221 5.106 -3.594 1.00 72.53 N ATOM 638 CA ILE A 44 0.039 4.630 -2.231 1.00 4.10 C ATOM 639 C ILE A 44 -0.173 3.121 -2.205 1.00 42.24 C ATOM 640 O ILE A 44 -1.007 2.585 -2.938 1.00 73.11 O ATOM 641 CB ILE A 44 -1.164 5.330 -1.552 1.00 73.44 C ATOM 642 CG1 ILE A 44 -0.868 6.828 -1.371 1.00 22.02 C ATOM 643 CG2 ILE A 44 -1.499 4.676 -0.212 1.00 42.32 C ATOM 644 CD1 ILE A 44 -1.971 7.585 -0.667 1.00 4.04 C ATOM 0 H ILE A 44 -0.634 5.112 -4.150 1.00 72.53 H new ATOM 0 HA ILE A 44 0.947 4.872 -1.679 1.00 4.10 H new ATOM 0 HB ILE A 44 -2.035 5.221 -2.198 1.00 73.44 H new ATOM 0 HG12 ILE A 44 0.057 6.941 -0.805 1.00 22.02 H new ATOM 0 HG13 ILE A 44 -0.699 7.277 -2.350 1.00 22.02 H new ATOM 0 HG21 ILE A 44 -2.347 5.189 0.241 1.00 42.32 H new ATOM 0 HG22 ILE A 44 -1.752 3.628 -0.372 1.00 42.32 H new ATOM 0 HG23 ILE A 44 -0.637 4.744 0.452 1.00 42.32 H new ATOM 0 HD11 ILE A 44 -1.691 8.634 -0.576 1.00 4.04 H new ATOM 0 HD12 ILE A 44 -2.893 7.504 -1.243 1.00 4.04 H new ATOM 0 HD13 ILE A 44 -2.126 7.163 0.326 1.00 4.04 H new ATOM 656 N LEU A 45 0.601 2.444 -1.366 1.00 75.14 N ATOM 657 CA LEU A 45 0.446 1.016 -1.141 1.00 14.12 C ATOM 658 C LEU A 45 -0.008 0.784 0.294 1.00 50.31 C ATOM 659 O LEU A 45 0.751 1.012 1.230 1.00 0.13 O ATOM 660 CB LEU A 45 1.765 0.262 -1.385 1.00 55.13 C ATOM 661 CG LEU A 45 2.344 0.348 -2.808 1.00 75.13 C ATOM 662 CD1 LEU A 45 2.967 1.718 -3.068 1.00 74.22 C ATOM 663 CD2 LEU A 45 3.367 -0.762 -3.039 1.00 52.43 C ATOM 0 H LEU A 45 1.352 2.871 -0.824 1.00 75.14 H new ATOM 0 HA LEU A 45 -0.297 0.637 -1.843 1.00 14.12 H new ATOM 0 HB2 LEU A 45 2.511 0.643 -0.688 1.00 55.13 H new ATOM 0 HB3 LEU A 45 1.609 -0.789 -1.142 1.00 55.13 H new ATOM 0 HG LEU A 45 1.524 0.214 -3.513 1.00 75.13 H new ATOM 0 HD11 LEU A 45 3.368 1.749 -4.081 1.00 74.22 H new ATOM 0 HD12 LEU A 45 2.207 2.491 -2.955 1.00 74.22 H new ATOM 0 HD13 LEU A 45 3.772 1.893 -2.354 1.00 74.22 H new ATOM 0 HD21 LEU A 45 3.765 -0.685 -4.051 1.00 52.43 H new ATOM 0 HD22 LEU A 45 4.180 -0.663 -2.320 1.00 52.43 H new ATOM 0 HD23 LEU A 45 2.886 -1.732 -2.911 1.00 52.43 H new ATOM 675 N VAL A 46 -1.246 0.365 0.471 1.00 2.12 N ATOM 676 CA VAL A 46 -1.763 0.084 1.805 1.00 35.42 C ATOM 677 C VAL A 46 -1.766 -1.416 2.055 1.00 12.05 C ATOM 678 O VAL A 46 -2.602 -2.138 1.510 1.00 61.43 O ATOM 679 CB VAL A 46 -3.202 0.637 1.993 1.00 72.42 C ATOM 680 CG1 VAL A 46 -3.698 0.388 3.419 1.00 34.03 C ATOM 681 CG2 VAL A 46 -3.261 2.124 1.647 1.00 13.43 C ATOM 0 H VAL A 46 -1.913 0.211 -0.285 1.00 2.12 H new ATOM 0 HA VAL A 46 -1.110 0.582 2.521 1.00 35.42 H new ATOM 0 HB VAL A 46 -3.862 0.105 1.308 1.00 72.42 H new ATOM 0 HG11 VAL A 46 -4.708 0.784 3.527 1.00 34.03 H new ATOM 0 HG12 VAL A 46 -3.705 -0.683 3.620 1.00 34.03 H new ATOM 0 HG13 VAL A 46 -3.035 0.886 4.127 1.00 34.03 H new ATOM 0 HG21 VAL A 46 -4.278 2.490 1.786 1.00 13.43 H new ATOM 0 HG22 VAL A 46 -2.584 2.676 2.299 1.00 13.43 H new ATOM 0 HG23 VAL A 46 -2.962 2.268 0.609 1.00 13.43 H new ATOM 691 N ASP A 47 -0.817 -1.891 2.859 1.00 20.40 N ATOM 692 CA ASP A 47 -0.781 -3.302 3.236 1.00 14.52 C ATOM 693 C ASP A 47 -1.685 -3.540 4.439 1.00 73.23 C ATOM 694 O ASP A 47 -1.825 -2.677 5.312 1.00 40.43 O ATOM 695 CB ASP A 47 0.645 -3.781 3.539 1.00 4.24 C ATOM 696 CG ASP A 47 0.672 -5.220 4.055 1.00 74.22 C ATOM 697 OD1 ASP A 47 0.053 -6.106 3.420 1.00 31.34 O ATOM 698 OD2 ASP A 47 1.276 -5.459 5.120 1.00 72.44 O ATOM 0 H ASP A 47 -0.069 -1.325 3.259 1.00 20.40 H new ATOM 0 HA ASP A 47 -1.144 -3.881 2.387 1.00 14.52 H new ATOM 0 HB2 ASP A 47 1.251 -3.709 2.636 1.00 4.24 H new ATOM 0 HB3 ASP A 47 1.098 -3.122 4.280 1.00 4.24 H new ATOM 703 N PHE A 48 -2.290 -4.714 4.480 1.00 5.15 N ATOM 704 CA PHE A 48 -3.288 -5.034 5.487 1.00 72.02 C ATOM 705 C PHE A 48 -2.636 -5.452 6.812 1.00 73.31 C ATOM 706 O PHE A 48 -2.160 -4.604 7.573 1.00 21.40 O ATOM 707 CB PHE A 48 -4.233 -6.123 4.949 1.00 32.20 C ATOM 708 CG PHE A 48 -5.346 -6.509 5.892 1.00 3.03 C ATOM 709 CD1 PHE A 48 -6.249 -5.562 6.350 1.00 4.44 C ATOM 710 CD2 PHE A 48 -5.487 -7.824 6.319 1.00 3.25 C ATOM 711 CE1 PHE A 48 -7.267 -5.918 7.213 1.00 33.11 C ATOM 712 CE2 PHE A 48 -6.503 -8.183 7.179 1.00 61.22 C ATOM 713 CZ PHE A 48 -7.395 -7.231 7.627 1.00 3.33 C ATOM 0 H PHE A 48 -2.105 -5.469 3.820 1.00 5.15 H new ATOM 0 HA PHE A 48 -3.874 -4.139 5.698 1.00 72.02 H new ATOM 0 HB2 PHE A 48 -4.671 -5.776 4.013 1.00 32.20 H new ATOM 0 HB3 PHE A 48 -3.647 -7.012 4.716 1.00 32.20 H new ATOM 0 HD1 PHE A 48 -6.155 -4.535 6.029 1.00 4.44 H new ATOM 0 HD2 PHE A 48 -4.792 -8.574 5.973 1.00 3.25 H new ATOM 0 HE1 PHE A 48 -7.963 -5.171 7.564 1.00 33.11 H new ATOM 0 HE2 PHE A 48 -6.600 -9.209 7.502 1.00 61.22 H new ATOM 0 HZ PHE A 48 -8.192 -7.511 8.300 1.00 3.33 H new ATOM 723 N TRP A 49 -2.566 -6.754 7.064 1.00 62.41 N ATOM 724 CA TRP A 49 -2.199 -7.258 8.382 1.00 42.43 C ATOM 725 C TRP A 49 -0.712 -7.627 8.428 1.00 11.25 C ATOM 726 O TRP A 49 0.123 -6.829 8.869 1.00 34.12 O ATOM 727 CB TRP A 49 -3.089 -8.471 8.738 1.00 51.40 C ATOM 728 CG TRP A 49 -3.653 -8.433 10.128 1.00 41.25 C ATOM 729 CD1 TRP A 49 -3.924 -7.321 10.862 1.00 13.32 C ATOM 730 CD2 TRP A 49 -4.038 -9.550 10.938 1.00 34.43 C ATOM 731 NE1 TRP A 49 -4.434 -7.670 12.084 1.00 35.54 N ATOM 732 CE2 TRP A 49 -4.520 -9.034 12.156 1.00 22.35 C ATOM 733 CE3 TRP A 49 -4.022 -10.935 10.753 1.00 70.23 C ATOM 734 CZ2 TRP A 49 -4.976 -9.855 13.185 1.00 0.14 C ATOM 735 CZ3 TRP A 49 -4.475 -11.749 11.774 1.00 74.01 C ATOM 736 CH2 TRP A 49 -4.949 -11.206 12.975 1.00 54.22 C ATOM 0 H TRP A 49 -2.758 -7.479 6.373 1.00 62.41 H new ATOM 0 HA TRP A 49 -2.363 -6.476 9.123 1.00 42.43 H new ATOM 0 HB2 TRP A 49 -3.912 -8.525 8.025 1.00 51.40 H new ATOM 0 HB3 TRP A 49 -2.504 -9.383 8.620 1.00 51.40 H new ATOM 0 HD1 TRP A 49 -3.760 -6.307 10.529 1.00 13.32 H new ATOM 0 HE1 TRP A 49 -4.706 -7.019 12.821 1.00 35.54 H new ATOM 0 HE3 TRP A 49 -3.662 -11.362 9.829 1.00 70.23 H new ATOM 0 HZ2 TRP A 49 -5.337 -9.440 14.114 1.00 0.14 H new ATOM 0 HZ3 TRP A 49 -4.463 -12.821 11.644 1.00 74.01 H new ATOM 0 HH2 TRP A 49 -5.301 -11.869 13.752 1.00 54.22 H new ATOM 747 N ALA A 50 -0.402 -8.840 7.969 1.00 54.51 N ATOM 748 CA ALA A 50 0.972 -9.357 7.912 1.00 20.04 C ATOM 749 C ALA A 50 1.686 -9.439 9.289 1.00 74.53 C ATOM 750 O ALA A 50 2.894 -9.214 9.353 1.00 0.03 O ATOM 751 CB ALA A 50 1.794 -8.516 6.936 1.00 4.53 C ATOM 0 H ALA A 50 -1.100 -9.499 7.623 1.00 54.51 H new ATOM 0 HA ALA A 50 0.896 -10.387 7.564 1.00 20.04 H new ATOM 0 HB1 ALA A 50 2.813 -8.900 6.894 1.00 4.53 H new ATOM 0 HB2 ALA A 50 1.346 -8.568 5.944 1.00 4.53 H new ATOM 0 HB3 ALA A 50 1.810 -7.480 7.273 1.00 4.53 H new ATOM 757 N PRO A 51 0.996 -9.791 10.413 1.00 51.13 N ATOM 758 CA PRO A 51 1.658 -10.001 11.701 1.00 44.25 C ATOM 759 C PRO A 51 1.929 -11.485 11.953 1.00 22.11 C ATOM 760 O PRO A 51 2.561 -11.866 12.936 1.00 50.20 O ATOM 761 CB PRO A 51 0.613 -9.465 12.677 1.00 11.42 C ATOM 762 CG PRO A 51 -0.699 -9.846 12.058 1.00 72.33 C ATOM 763 CD PRO A 51 -0.460 -9.997 10.563 1.00 64.31 C ATOM 0 HA PRO A 51 2.632 -9.518 11.778 1.00 44.25 H new ATOM 0 HB2 PRO A 51 0.729 -9.906 13.667 1.00 11.42 H new ATOM 0 HB3 PRO A 51 0.698 -8.385 12.798 1.00 11.42 H new ATOM 0 HG2 PRO A 51 -1.070 -10.778 12.485 1.00 72.33 H new ATOM 0 HG3 PRO A 51 -1.453 -9.083 12.253 1.00 72.33 H new ATOM 0 HD2 PRO A 51 -0.763 -10.982 10.208 1.00 64.31 H new ATOM 0 HD3 PRO A 51 -1.028 -9.263 9.991 1.00 64.31 H new ATOM 771 N TRP A 52 1.434 -12.308 11.036 1.00 22.31 N ATOM 772 CA TRP A 52 1.544 -13.754 11.123 1.00 45.31 C ATOM 773 C TRP A 52 1.800 -14.296 9.723 1.00 73.22 C ATOM 774 O TRP A 52 0.873 -14.676 9.007 1.00 2.13 O ATOM 775 CB TRP A 52 0.255 -14.346 11.720 1.00 23.53 C ATOM 776 CG TRP A 52 0.307 -15.830 11.956 1.00 5.21 C ATOM 777 CD1 TRP A 52 -0.231 -16.804 11.166 1.00 42.32 C ATOM 778 CD2 TRP A 52 0.924 -16.504 13.062 1.00 52.51 C ATOM 779 NE1 TRP A 52 0.011 -18.042 11.711 1.00 42.25 N ATOM 780 CE2 TRP A 52 0.721 -17.885 12.873 1.00 4.20 C ATOM 781 CE3 TRP A 52 1.630 -16.073 14.188 1.00 31.54 C ATOM 782 CZ2 TRP A 52 1.195 -18.837 13.773 1.00 71.33 C ATOM 783 CZ3 TRP A 52 2.101 -17.019 15.080 1.00 31.12 C ATOM 784 CH2 TRP A 52 1.882 -18.386 14.867 1.00 21.23 C ATOM 0 H TRP A 52 0.941 -11.984 10.204 1.00 22.31 H new ATOM 0 HA TRP A 52 2.369 -14.036 11.777 1.00 45.31 H new ATOM 0 HB2 TRP A 52 0.044 -13.847 12.666 1.00 23.53 H new ATOM 0 HB3 TRP A 52 -0.576 -14.125 11.050 1.00 23.53 H new ATOM 0 HD1 TRP A 52 -0.769 -16.628 10.246 1.00 42.32 H new ATOM 0 HE1 TRP A 52 -0.289 -18.933 11.315 1.00 42.25 H new ATOM 0 HE3 TRP A 52 1.805 -15.021 14.359 1.00 31.54 H new ATOM 0 HZ2 TRP A 52 1.026 -19.892 13.613 1.00 71.33 H new ATOM 0 HZ3 TRP A 52 2.647 -16.699 15.955 1.00 31.12 H new ATOM 0 HH2 TRP A 52 2.264 -19.100 15.582 1.00 21.23 H new ATOM 795 N CYS A 53 3.063 -14.264 9.320 1.00 43.34 N ATOM 796 CA CYS A 53 3.457 -14.611 7.960 1.00 14.21 C ATOM 797 C CYS A 53 4.882 -15.148 7.939 1.00 45.23 C ATOM 798 O CYS A 53 5.701 -14.788 8.790 1.00 50.12 O ATOM 799 CB CYS A 53 3.343 -13.378 7.056 1.00 31.02 C ATOM 800 SG CYS A 53 3.955 -13.624 5.357 1.00 31.54 S ATOM 0 H CYS A 53 3.841 -13.998 9.923 1.00 43.34 H new ATOM 0 HA CYS A 53 2.790 -15.389 7.588 1.00 14.21 H new ATOM 0 HB2 CYS A 53 2.298 -13.072 7.011 1.00 31.02 H new ATOM 0 HB3 CYS A 53 3.896 -12.557 7.512 1.00 31.02 H new ATOM 805 N GLY A 54 5.169 -16.012 6.972 1.00 53.25 N ATOM 806 CA GLY A 54 6.492 -16.600 6.854 1.00 64.15 C ATOM 807 C GLY A 54 7.447 -15.733 6.049 1.00 41.05 C ATOM 808 O GLY A 54 8.318 -15.074 6.617 1.00 71.35 O ATOM 0 H GLY A 54 4.504 -16.318 6.262 1.00 53.25 H new ATOM 0 HA2 GLY A 54 6.905 -16.760 7.850 1.00 64.15 H new ATOM 0 HA3 GLY A 54 6.410 -17.579 6.382 1.00 64.15 H new ATOM 812 N PRO A 55 7.279 -15.685 4.714 1.00 11.55 N ATOM 813 CA PRO A 55 8.215 -14.988 3.814 1.00 33.23 C ATOM 814 C PRO A 55 8.268 -13.480 4.064 1.00 43.34 C ATOM 815 O PRO A 55 9.258 -12.820 3.727 1.00 63.11 O ATOM 816 CB PRO A 55 7.652 -15.281 2.413 1.00 74.44 C ATOM 817 CG PRO A 55 6.212 -15.603 2.640 1.00 31.50 C ATOM 818 CD PRO A 55 6.158 -16.298 3.972 1.00 72.13 C ATOM 0 HA PRO A 55 9.240 -15.330 3.959 1.00 33.23 H new ATOM 0 HB2 PRO A 55 7.766 -14.421 1.753 1.00 74.44 H new ATOM 0 HB3 PRO A 55 8.174 -16.114 1.943 1.00 74.44 H new ATOM 0 HG2 PRO A 55 5.604 -14.698 2.645 1.00 31.50 H new ATOM 0 HG3 PRO A 55 5.824 -16.243 1.848 1.00 31.50 H new ATOM 0 HD2 PRO A 55 5.204 -16.134 4.474 1.00 72.13 H new ATOM 0 HD3 PRO A 55 6.283 -17.376 3.870 1.00 72.13 H new ATOM 826 N CYS A 56 7.211 -12.947 4.674 1.00 15.10 N ATOM 827 CA CYS A 56 7.072 -11.504 4.876 1.00 63.03 C ATOM 828 C CYS A 56 8.261 -10.907 5.633 1.00 74.02 C ATOM 829 O CYS A 56 8.596 -9.745 5.432 1.00 41.53 O ATOM 830 CB CYS A 56 5.759 -11.192 5.604 1.00 32.54 C ATOM 831 SG CYS A 56 4.274 -11.735 4.692 1.00 34.34 S ATOM 0 H CYS A 56 6.433 -13.496 5.039 1.00 15.10 H new ATOM 0 HA CYS A 56 7.054 -11.039 3.890 1.00 63.03 H new ATOM 0 HB2 CYS A 56 5.772 -11.674 6.582 1.00 32.54 H new ATOM 0 HB3 CYS A 56 5.696 -10.118 5.779 1.00 32.54 H new ATOM 836 N ARG A 57 8.928 -11.707 6.464 1.00 21.04 N ATOM 837 CA ARG A 57 10.056 -11.206 7.256 1.00 70.04 C ATOM 838 C ARG A 57 11.116 -10.532 6.373 1.00 22.10 C ATOM 839 O ARG A 57 11.780 -9.587 6.801 1.00 25.35 O ATOM 840 CB ARG A 57 10.662 -12.328 8.130 1.00 45.11 C ATOM 841 CG ARG A 57 10.931 -13.654 7.407 1.00 52.42 C ATOM 842 CD ARG A 57 12.233 -13.645 6.617 1.00 31.13 C ATOM 843 NE ARG A 57 13.399 -13.422 7.476 1.00 13.44 N ATOM 844 CZ ARG A 57 14.653 -13.365 7.030 1.00 72.24 C ATOM 845 NH1 ARG A 57 14.909 -13.494 5.733 1.00 62.00 N ATOM 846 NH2 ARG A 57 15.649 -13.185 7.889 1.00 53.43 N ATOM 0 H ARG A 57 8.712 -12.694 6.607 1.00 21.04 H new ATOM 0 HA ARG A 57 9.673 -10.438 7.928 1.00 70.04 H new ATOM 0 HB2 ARG A 57 11.600 -11.968 8.554 1.00 45.11 H new ATOM 0 HB3 ARG A 57 9.987 -12.519 8.965 1.00 45.11 H new ATOM 0 HG2 ARG A 57 10.962 -14.461 8.139 1.00 52.42 H new ATOM 0 HG3 ARG A 57 10.103 -13.868 6.731 1.00 52.42 H new ATOM 0 HD2 ARG A 57 12.345 -14.595 6.094 1.00 31.13 H new ATOM 0 HD3 ARG A 57 12.189 -12.865 5.857 1.00 31.13 H new ATOM 0 HE ARG A 57 13.241 -13.303 8.477 1.00 13.44 H new ATOM 0 HH11 ARG A 57 14.144 -13.637 5.074 1.00 62.00 H new ATOM 0 HH12 ARG A 57 15.871 -13.450 5.396 1.00 62.00 H new ATOM 0 HH21 ARG A 57 15.452 -13.091 8.885 1.00 53.43 H new ATOM 0 HH22 ARG A 57 16.611 -13.141 7.553 1.00 53.43 H new ATOM 860 N SER A 58 11.296 -11.039 5.155 1.00 70.25 N ATOM 861 CA SER A 58 12.171 -10.406 4.167 1.00 14.11 C ATOM 862 C SER A 58 11.500 -9.163 3.554 1.00 64.43 C ATOM 863 O SER A 58 12.167 -8.183 3.174 1.00 45.31 O ATOM 864 CB SER A 58 12.539 -11.421 3.078 1.00 50.52 C ATOM 865 OG SER A 58 13.099 -12.596 3.651 1.00 4.33 O ATOM 0 H SER A 58 10.845 -11.892 4.826 1.00 70.25 H new ATOM 0 HA SER A 58 13.083 -10.076 4.665 1.00 14.11 H new ATOM 0 HB2 SER A 58 11.651 -11.680 2.501 1.00 50.52 H new ATOM 0 HB3 SER A 58 13.251 -10.974 2.384 1.00 50.52 H new ATOM 0 HG SER A 58 13.325 -13.231 2.940 1.00 4.33 H new ATOM 871 N LEU A 59 10.172 -9.209 3.476 1.00 74.12 N ATOM 872 CA LEU A 59 9.389 -8.172 2.806 1.00 30.40 C ATOM 873 C LEU A 59 9.467 -6.828 3.521 1.00 42.10 C ATOM 874 O LEU A 59 9.582 -5.811 2.855 1.00 2.42 O ATOM 875 CB LEU A 59 7.921 -8.599 2.642 1.00 12.15 C ATOM 876 CG LEU A 59 7.614 -9.471 1.409 1.00 1.54 C ATOM 877 CD1 LEU A 59 7.875 -8.698 0.122 1.00 13.03 C ATOM 878 CD2 LEU A 59 8.425 -10.765 1.428 1.00 44.41 C ATOM 0 H LEU A 59 9.610 -9.962 3.873 1.00 74.12 H new ATOM 0 HA LEU A 59 9.832 -8.045 1.818 1.00 30.40 H new ATOM 0 HB2 LEU A 59 7.618 -9.145 3.535 1.00 12.15 H new ATOM 0 HB3 LEU A 59 7.304 -7.702 2.593 1.00 12.15 H new ATOM 0 HG LEU A 59 6.557 -9.736 1.447 1.00 1.54 H new ATOM 0 HD11 LEU A 59 7.652 -9.333 -0.735 1.00 13.03 H new ATOM 0 HD12 LEU A 59 7.239 -7.813 0.094 1.00 13.03 H new ATOM 0 HD13 LEU A 59 8.921 -8.394 0.086 1.00 13.03 H new ATOM 0 HD21 LEU A 59 8.185 -11.358 0.545 1.00 44.41 H new ATOM 0 HD22 LEU A 59 9.489 -10.528 1.428 1.00 44.41 H new ATOM 0 HD23 LEU A 59 8.180 -11.335 2.325 1.00 44.41 H new ATOM 890 N GLU A 60 9.386 -6.805 4.856 1.00 24.40 N ATOM 891 CA GLU A 60 9.511 -5.533 5.583 1.00 72.34 C ATOM 892 C GLU A 60 10.762 -4.764 5.104 1.00 40.54 C ATOM 893 O GLU A 60 10.641 -3.638 4.612 1.00 32.53 O ATOM 894 CB GLU A 60 9.538 -5.722 7.118 1.00 0.42 C ATOM 895 CG GLU A 60 8.201 -6.132 7.742 1.00 65.24 C ATOM 896 CD GLU A 60 7.840 -7.587 7.491 1.00 43.22 C ATOM 897 OE1 GLU A 60 8.375 -8.465 8.207 1.00 11.12 O ATOM 898 OE2 GLU A 60 7.021 -7.858 6.592 1.00 60.30 O ATOM 0 H GLU A 60 9.239 -7.626 5.443 1.00 24.40 H new ATOM 0 HA GLU A 60 8.621 -4.946 5.358 1.00 72.34 H new ATOM 0 HB2 GLU A 60 10.284 -6.478 7.363 1.00 0.42 H new ATOM 0 HB3 GLU A 60 9.866 -4.790 7.578 1.00 0.42 H new ATOM 0 HG2 GLU A 60 8.240 -5.955 8.817 1.00 65.24 H new ATOM 0 HG3 GLU A 60 7.411 -5.495 7.343 1.00 65.24 H new ATOM 905 N PRO A 61 11.977 -5.368 5.196 1.00 53.12 N ATOM 906 CA PRO A 61 13.196 -4.738 4.680 1.00 45.11 C ATOM 907 C PRO A 61 13.075 -4.362 3.201 1.00 53.23 C ATOM 908 O PRO A 61 13.288 -3.203 2.834 1.00 35.40 O ATOM 909 CB PRO A 61 14.293 -5.800 4.856 1.00 20.54 C ATOM 910 CG PRO A 61 13.752 -6.808 5.816 1.00 34.22 C ATOM 911 CD PRO A 61 12.250 -6.679 5.816 1.00 65.12 C ATOM 0 HA PRO A 61 13.405 -3.809 5.210 1.00 45.11 H new ATOM 0 HB2 PRO A 61 14.540 -6.266 3.902 1.00 20.54 H new ATOM 0 HB3 PRO A 61 15.210 -5.352 5.239 1.00 20.54 H new ATOM 0 HG2 PRO A 61 14.050 -7.815 5.522 1.00 34.22 H new ATOM 0 HG3 PRO A 61 14.151 -6.637 6.816 1.00 34.22 H new ATOM 0 HD2 PRO A 61 11.785 -7.487 5.251 1.00 65.12 H new ATOM 0 HD3 PRO A 61 11.850 -6.727 6.829 1.00 65.12 H new ATOM 919 N GLN A 62 12.746 -5.348 2.352 1.00 71.22 N ATOM 920 CA GLN A 62 12.645 -5.105 0.905 1.00 51.31 C ATOM 921 C GLN A 62 11.750 -3.902 0.581 1.00 43.40 C ATOM 922 O GLN A 62 12.139 -3.004 -0.175 1.00 44.30 O ATOM 923 CB GLN A 62 12.105 -6.341 0.178 1.00 40.03 C ATOM 924 CG GLN A 62 12.990 -7.573 0.304 1.00 52.44 C ATOM 925 CD GLN A 62 12.551 -8.701 -0.613 1.00 12.21 C ATOM 926 OE1 GLN A 62 12.985 -8.792 -1.762 1.00 60.01 O ATOM 927 NE2 GLN A 62 11.681 -9.565 -0.114 1.00 50.35 N ATOM 0 H GLN A 62 12.548 -6.307 2.637 1.00 71.22 H new ATOM 0 HA GLN A 62 13.655 -4.886 0.558 1.00 51.31 H new ATOM 0 HB2 GLN A 62 11.115 -6.576 0.570 1.00 40.03 H new ATOM 0 HB3 GLN A 62 11.981 -6.103 -0.878 1.00 40.03 H new ATOM 0 HG2 GLN A 62 14.020 -7.301 0.073 1.00 52.44 H new ATOM 0 HG3 GLN A 62 12.976 -7.922 1.336 1.00 52.44 H new ATOM 0 HE21 GLN A 62 11.345 -9.455 0.843 1.00 50.35 H new ATOM 0 HE22 GLN A 62 11.347 -10.340 -0.686 1.00 50.35 H new ATOM 936 N LEU A 63 10.561 -3.889 1.171 1.00 20.13 N ATOM 937 CA LEU A 63 9.552 -2.882 0.862 1.00 73.44 C ATOM 938 C LEU A 63 9.966 -1.516 1.384 1.00 21.00 C ATOM 939 O LEU A 63 9.775 -0.511 0.702 1.00 11.41 O ATOM 940 CB LEU A 63 8.185 -3.287 1.433 1.00 70.41 C ATOM 941 CG LEU A 63 7.579 -4.570 0.833 1.00 33.52 C ATOM 942 CD1 LEU A 63 6.211 -4.865 1.447 1.00 42.25 C ATOM 943 CD2 LEU A 63 7.480 -4.461 -0.689 1.00 3.24 C ATOM 0 H LEU A 63 10.270 -4.570 1.872 1.00 20.13 H new ATOM 0 HA LEU A 63 9.465 -2.817 -0.223 1.00 73.44 H new ATOM 0 HB2 LEU A 63 8.284 -3.420 2.510 1.00 70.41 H new ATOM 0 HB3 LEU A 63 7.486 -2.466 1.276 1.00 70.41 H new ATOM 0 HG LEU A 63 8.242 -5.402 1.072 1.00 33.52 H new ATOM 0 HD11 LEU A 63 5.804 -5.775 1.007 1.00 42.25 H new ATOM 0 HD12 LEU A 63 6.316 -4.998 2.524 1.00 42.25 H new ATOM 0 HD13 LEU A 63 5.536 -4.033 1.248 1.00 42.25 H new ATOM 0 HD21 LEU A 63 7.050 -5.378 -1.092 1.00 3.24 H new ATOM 0 HD22 LEU A 63 6.845 -3.615 -0.953 1.00 3.24 H new ATOM 0 HD23 LEU A 63 8.475 -4.312 -1.109 1.00 3.24 H new ATOM 955 N GLU A 64 10.541 -1.476 2.586 1.00 23.11 N ATOM 956 CA GLU A 64 11.034 -0.217 3.140 1.00 2.21 C ATOM 957 C GLU A 64 12.172 0.329 2.283 1.00 55.11 C ATOM 958 O GLU A 64 12.292 1.541 2.100 1.00 13.23 O ATOM 959 CB GLU A 64 11.478 -0.380 4.603 1.00 45.13 C ATOM 960 CG GLU A 64 10.323 -0.659 5.562 1.00 11.41 C ATOM 961 CD GLU A 64 10.693 -0.433 7.019 1.00 62.51 C ATOM 962 OE1 GLU A 64 11.192 -1.374 7.666 1.00 51.33 O ATOM 963 OE2 GLU A 64 10.486 0.694 7.521 1.00 65.02 O ATOM 0 H GLU A 64 10.675 -2.289 3.187 1.00 23.11 H new ATOM 0 HA GLU A 64 10.214 0.500 3.127 1.00 2.21 H new ATOM 0 HB2 GLU A 64 12.198 -1.196 4.667 1.00 45.13 H new ATOM 0 HB3 GLU A 64 11.993 0.526 4.921 1.00 45.13 H new ATOM 0 HG2 GLU A 64 9.480 -0.018 5.303 1.00 11.41 H new ATOM 0 HG3 GLU A 64 9.991 -1.689 5.433 1.00 11.41 H new ATOM 970 N LYS A 65 12.985 -0.570 1.728 1.00 4.04 N ATOM 971 CA LYS A 65 14.064 -0.175 0.832 1.00 22.42 C ATOM 972 C LYS A 65 13.493 0.499 -0.406 1.00 71.23 C ATOM 973 O LYS A 65 13.856 1.633 -0.743 1.00 32.42 O ATOM 974 CB LYS A 65 14.907 -1.385 0.409 1.00 11.25 C ATOM 975 CG LYS A 65 15.892 -1.064 -0.711 1.00 11.20 C ATOM 976 CD LYS A 65 16.707 -2.278 -1.137 1.00 50.35 C ATOM 977 CE LYS A 65 17.712 -1.915 -2.223 1.00 0.13 C ATOM 978 NZ LYS A 65 17.065 -1.233 -3.378 1.00 73.34 N ATOM 0 H LYS A 65 12.914 -1.575 1.885 1.00 4.04 H new ATOM 0 HA LYS A 65 14.705 0.523 1.370 1.00 22.42 H new ATOM 0 HB2 LYS A 65 15.457 -1.757 1.273 1.00 11.25 H new ATOM 0 HB3 LYS A 65 14.244 -2.187 0.083 1.00 11.25 H new ATOM 0 HG2 LYS A 65 15.346 -0.677 -1.571 1.00 11.20 H new ATOM 0 HG3 LYS A 65 16.567 -0.275 -0.381 1.00 11.20 H new ATOM 0 HD2 LYS A 65 17.232 -2.687 -0.274 1.00 50.35 H new ATOM 0 HD3 LYS A 65 16.039 -3.058 -1.503 1.00 50.35 H new ATOM 0 HE2 LYS A 65 18.481 -1.266 -1.803 1.00 0.13 H new ATOM 0 HE3 LYS A 65 18.213 -2.819 -2.570 1.00 0.13 H new ATOM 0 HZ1 LYS A 65 17.530 -1.528 -4.260 1.00 73.34 H new ATOM 0 HZ2 LYS A 65 16.058 -1.491 -3.414 1.00 73.34 H new ATOM 0 HZ3 LYS A 65 17.154 -0.203 -3.267 1.00 73.34 H new ATOM 992 N LEU A 66 12.586 -0.201 -1.081 1.00 61.13 N ATOM 993 CA LEU A 66 11.975 0.332 -2.287 1.00 43.42 C ATOM 994 C LEU A 66 11.201 1.603 -1.959 1.00 42.32 C ATOM 995 O LEU A 66 11.141 2.531 -2.763 1.00 43.43 O ATOM 996 CB LEU A 66 11.057 -0.706 -2.948 1.00 30.54 C ATOM 997 CG LEU A 66 11.746 -2.003 -3.397 1.00 53.13 C ATOM 998 CD1 LEU A 66 10.805 -2.836 -4.260 1.00 22.31 C ATOM 999 CD2 LEU A 66 13.053 -1.703 -4.131 1.00 62.14 C ATOM 0 H LEU A 66 12.262 -1.131 -0.814 1.00 61.13 H new ATOM 0 HA LEU A 66 12.766 0.573 -2.997 1.00 43.42 H new ATOM 0 HB2 LEU A 66 10.261 -0.961 -2.248 1.00 30.54 H new ATOM 0 HB3 LEU A 66 10.583 -0.247 -3.816 1.00 30.54 H new ATOM 0 HG LEU A 66 11.994 -2.585 -2.509 1.00 53.13 H new ATOM 0 HD11 LEU A 66 11.310 -3.751 -4.569 1.00 22.31 H new ATOM 0 HD12 LEU A 66 9.913 -3.089 -3.686 1.00 22.31 H new ATOM 0 HD13 LEU A 66 10.518 -2.264 -5.142 1.00 22.31 H new ATOM 0 HD21 LEU A 66 13.521 -2.638 -4.438 1.00 62.14 H new ATOM 0 HD22 LEU A 66 12.845 -1.095 -5.012 1.00 62.14 H new ATOM 0 HD23 LEU A 66 13.727 -1.161 -3.467 1.00 62.14 H new ATOM 1011 N ALA A 67 10.636 1.647 -0.757 1.00 4.31 N ATOM 1012 CA ALA A 67 9.937 2.830 -0.285 1.00 43.23 C ATOM 1013 C ALA A 67 10.901 4.006 -0.207 1.00 62.40 C ATOM 1014 O ALA A 67 10.554 5.116 -0.573 1.00 53.44 O ATOM 1015 CB ALA A 67 9.290 2.573 1.070 1.00 20.05 C ATOM 0 H ALA A 67 10.650 0.873 -0.093 1.00 4.31 H new ATOM 0 HA ALA A 67 9.144 3.072 -0.993 1.00 43.23 H new ATOM 0 HB1 ALA A 67 8.773 3.473 1.403 1.00 20.05 H new ATOM 0 HB2 ALA A 67 8.575 1.755 0.983 1.00 20.05 H new ATOM 0 HB3 ALA A 67 10.059 2.307 1.796 1.00 20.05 H new ATOM 1021 N GLN A 68 12.119 3.745 0.262 1.00 10.12 N ATOM 1022 CA GLN A 68 13.161 4.773 0.338 1.00 63.22 C ATOM 1023 C GLN A 68 13.542 5.259 -1.060 1.00 25.33 C ATOM 1024 O GLN A 68 13.656 6.465 -1.303 1.00 74.43 O ATOM 1025 CB GLN A 68 14.405 4.227 1.058 1.00 24.44 C ATOM 1026 CG GLN A 68 14.170 3.897 2.527 1.00 34.01 C ATOM 1027 CD GLN A 68 15.343 3.176 3.171 1.00 23.51 C ATOM 1028 OE1 GLN A 68 16.078 2.439 2.513 1.00 41.13 O ATOM 1029 NE2 GLN A 68 15.519 3.376 4.467 1.00 3.40 N ATOM 0 H GLN A 68 12.412 2.827 0.597 1.00 10.12 H new ATOM 0 HA GLN A 68 12.765 5.615 0.906 1.00 63.22 H new ATOM 0 HB2 GLN A 68 14.746 3.329 0.543 1.00 24.44 H new ATOM 0 HB3 GLN A 68 15.208 4.961 0.984 1.00 24.44 H new ATOM 0 HG2 GLN A 68 13.974 4.819 3.074 1.00 34.01 H new ATOM 0 HG3 GLN A 68 13.277 3.278 2.616 1.00 34.01 H new ATOM 0 HE21 GLN A 68 14.889 3.994 4.978 1.00 3.40 H new ATOM 0 HE22 GLN A 68 16.285 2.912 4.955 1.00 3.40 H new ATOM 1038 N GLN A 69 13.728 4.312 -1.975 1.00 62.52 N ATOM 1039 CA GLN A 69 14.132 4.627 -3.347 1.00 0.54 C ATOM 1040 C GLN A 69 13.035 5.406 -4.084 1.00 45.32 C ATOM 1041 O GLN A 69 13.316 6.328 -4.852 1.00 23.10 O ATOM 1042 CB GLN A 69 14.459 3.329 -4.107 1.00 2.20 C ATOM 1043 CG GLN A 69 14.928 3.545 -5.543 1.00 51.11 C ATOM 1044 CD GLN A 69 16.222 4.340 -5.635 1.00 24.54 C ATOM 1045 OE1 GLN A 69 17.069 4.285 -4.741 1.00 3.10 O ATOM 1046 NE2 GLN A 69 16.389 5.077 -6.720 1.00 62.14 N ATOM 0 H GLN A 69 13.606 3.316 -1.793 1.00 62.52 H new ATOM 0 HA GLN A 69 15.021 5.256 -3.304 1.00 0.54 H new ATOM 0 HB2 GLN A 69 15.232 2.787 -3.562 1.00 2.20 H new ATOM 0 HB3 GLN A 69 13.573 2.695 -4.118 1.00 2.20 H new ATOM 0 HG2 GLN A 69 15.069 2.576 -6.022 1.00 51.11 H new ATOM 0 HG3 GLN A 69 14.148 4.066 -6.099 1.00 51.11 H new ATOM 0 HE21 GLN A 69 15.666 5.098 -7.439 1.00 62.14 H new ATOM 0 HE22 GLN A 69 17.241 5.625 -6.838 1.00 62.14 H new ATOM 1055 N TYR A 70 11.784 5.038 -3.831 1.00 50.13 N ATOM 1056 CA TYR A 70 10.643 5.592 -4.559 1.00 31.24 C ATOM 1057 C TYR A 70 9.860 6.613 -3.722 1.00 72.34 C ATOM 1058 O TYR A 70 8.830 7.108 -4.171 1.00 0.23 O ATOM 1059 CB TYR A 70 9.709 4.465 -5.018 1.00 54.32 C ATOM 1060 CG TYR A 70 10.339 3.477 -5.988 1.00 24.40 C ATOM 1061 CD1 TYR A 70 10.733 3.875 -7.261 1.00 74.12 C ATOM 1062 CD2 TYR A 70 10.521 2.144 -5.635 1.00 11.34 C ATOM 1063 CE1 TYR A 70 11.287 2.973 -8.152 1.00 0.04 C ATOM 1064 CE2 TYR A 70 11.079 1.240 -6.517 1.00 22.10 C ATOM 1065 CZ TYR A 70 11.459 1.657 -7.774 1.00 14.12 C ATOM 1066 OH TYR A 70 12.006 0.753 -8.658 1.00 52.33 O ATOM 0 H TYR A 70 11.531 4.352 -3.120 1.00 50.13 H new ATOM 0 HA TYR A 70 11.039 6.116 -5.429 1.00 31.24 H new ATOM 0 HB2 TYR A 70 9.360 3.920 -4.141 1.00 54.32 H new ATOM 0 HB3 TYR A 70 8.831 4.907 -5.489 1.00 54.32 H new ATOM 0 HD1 TYR A 70 10.604 4.905 -7.559 1.00 74.12 H new ATOM 0 HD2 TYR A 70 10.220 1.810 -4.653 1.00 11.34 H new ATOM 0 HE1 TYR A 70 11.583 3.297 -9.139 1.00 0.04 H new ATOM 0 HE2 TYR A 70 11.217 0.210 -6.223 1.00 22.10 H new ATOM 0 HH TYR A 70 12.058 -0.129 -8.234 1.00 52.33 H new ATOM 1076 N THR A 71 10.353 6.926 -2.524 1.00 70.35 N ATOM 1077 CA THR A 71 9.600 7.718 -1.529 1.00 22.32 C ATOM 1078 C THR A 71 9.080 9.046 -2.088 1.00 74.15 C ATOM 1079 O THR A 71 8.164 9.645 -1.516 1.00 43.13 O ATOM 1080 CB THR A 71 10.459 8.010 -0.270 1.00 24.54 C ATOM 1081 OG1 THR A 71 9.662 8.630 0.750 1.00 2.12 O ATOM 1082 CG2 THR A 71 11.644 8.910 -0.607 1.00 63.32 C ATOM 0 H THR A 71 11.281 6.643 -2.209 1.00 70.35 H new ATOM 0 HA THR A 71 8.742 7.102 -1.260 1.00 22.32 H new ATOM 0 HB THR A 71 10.839 7.057 0.098 1.00 24.54 H new ATOM 0 HG1 THR A 71 8.861 9.024 0.345 1.00 2.12 H new ATOM 0 HG21 THR A 71 12.227 9.097 0.295 1.00 63.32 H new ATOM 0 HG22 THR A 71 12.273 8.420 -1.351 1.00 63.32 H new ATOM 0 HG23 THR A 71 11.280 9.857 -1.006 1.00 63.32 H new ATOM 1090 N GLU A 72 9.671 9.515 -3.182 1.00 63.13 N ATOM 1091 CA GLU A 72 9.229 10.753 -3.821 1.00 70.30 C ATOM 1092 C GLU A 72 7.780 10.631 -4.300 1.00 74.32 C ATOM 1093 O GLU A 72 7.017 11.596 -4.263 1.00 23.31 O ATOM 1094 CB GLU A 72 10.142 11.091 -5.003 1.00 41.10 C ATOM 1095 CG GLU A 72 11.600 11.295 -4.613 1.00 63.01 C ATOM 1096 CD GLU A 72 12.486 11.582 -5.812 1.00 22.54 C ATOM 1097 OE1 GLU A 72 12.419 12.710 -6.348 1.00 45.50 O ATOM 1098 OE2 GLU A 72 13.253 10.685 -6.224 1.00 12.40 O ATOM 0 H GLU A 72 10.457 9.058 -3.646 1.00 63.13 H new ATOM 0 HA GLU A 72 9.283 11.555 -3.085 1.00 70.30 H new ATOM 0 HB2 GLU A 72 10.081 10.289 -5.739 1.00 41.10 H new ATOM 0 HB3 GLU A 72 9.775 11.996 -5.487 1.00 41.10 H new ATOM 0 HG2 GLU A 72 11.672 12.121 -3.906 1.00 63.01 H new ATOM 0 HG3 GLU A 72 11.964 10.404 -4.101 1.00 63.01 H new ATOM 1105 N ASN A 73 7.414 9.429 -4.737 1.00 3.02 N ATOM 1106 CA ASN A 73 6.083 9.167 -5.284 1.00 51.24 C ATOM 1107 C ASN A 73 5.375 8.044 -4.528 1.00 4.53 C ATOM 1108 O ASN A 73 4.158 7.940 -4.573 1.00 55.00 O ATOM 1109 CB ASN A 73 6.190 8.801 -6.775 1.00 12.13 C ATOM 1110 CG ASN A 73 6.502 9.997 -7.659 1.00 12.41 C ATOM 1111 OD1 ASN A 73 6.000 11.097 -7.434 1.00 31.11 O ATOM 1112 ND2 ASN A 73 7.341 9.797 -8.664 1.00 72.25 N ATOM 0 H ASN A 73 8.026 8.613 -4.723 1.00 3.02 H new ATOM 0 HA ASN A 73 5.492 10.076 -5.170 1.00 51.24 H new ATOM 0 HB2 ASN A 73 6.968 8.048 -6.904 1.00 12.13 H new ATOM 0 HB3 ASN A 73 5.253 8.350 -7.101 1.00 12.13 H new ATOM 0 HD21 ASN A 73 7.590 10.569 -9.282 1.00 72.25 H new ATOM 0 HD22 ASN A 73 7.738 8.871 -8.820 1.00 72.25 H new ATOM 1119 N VAL A 74 6.138 7.213 -3.825 1.00 53.43 N ATOM 1120 CA VAL A 74 5.592 6.007 -3.196 1.00 62.21 C ATOM 1121 C VAL A 74 5.514 6.138 -1.677 1.00 11.30 C ATOM 1122 O VAL A 74 6.498 6.483 -1.019 1.00 22.32 O ATOM 1123 CB VAL A 74 6.441 4.759 -3.554 1.00 55.55 C ATOM 1124 CG1 VAL A 74 6.038 3.543 -2.718 1.00 63.42 C ATOM 1125 CG2 VAL A 74 6.330 4.445 -5.044 1.00 63.33 C ATOM 0 H VAL A 74 7.138 7.350 -3.674 1.00 53.43 H new ATOM 0 HA VAL A 74 4.581 5.886 -3.586 1.00 62.21 H new ATOM 0 HB VAL A 74 7.480 4.990 -3.320 1.00 55.55 H new ATOM 0 HG11 VAL A 74 6.655 2.689 -2.997 1.00 63.42 H new ATOM 0 HG12 VAL A 74 6.182 3.764 -1.661 1.00 63.42 H new ATOM 0 HG13 VAL A 74 4.989 3.308 -2.900 1.00 63.42 H new ATOM 0 HG21 VAL A 74 6.932 3.567 -5.277 1.00 63.33 H new ATOM 0 HG22 VAL A 74 5.288 4.249 -5.298 1.00 63.33 H new ATOM 0 HG23 VAL A 74 6.690 5.295 -5.623 1.00 63.33 H new ATOM 1135 N LYS A 75 4.332 5.857 -1.133 1.00 61.02 N ATOM 1136 CA LYS A 75 4.124 5.790 0.315 1.00 10.14 C ATOM 1137 C LYS A 75 3.371 4.504 0.650 1.00 2.32 C ATOM 1138 O LYS A 75 2.439 4.133 -0.061 1.00 4.42 O ATOM 1139 CB LYS A 75 3.327 7.008 0.819 1.00 51.11 C ATOM 1140 CG LYS A 75 3.931 8.367 0.454 1.00 22.44 C ATOM 1141 CD LYS A 75 5.338 8.579 1.027 1.00 10.33 C ATOM 1142 CE LYS A 75 5.361 8.647 2.555 1.00 13.25 C ATOM 1143 NZ LYS A 75 5.253 7.307 3.190 1.00 61.31 N ATOM 0 H LYS A 75 3.492 5.669 -1.680 1.00 61.02 H new ATOM 0 HA LYS A 75 5.095 5.796 0.810 1.00 10.14 H new ATOM 0 HB2 LYS A 75 2.316 6.955 0.415 1.00 51.11 H new ATOM 0 HB3 LYS A 75 3.240 6.944 1.904 1.00 51.11 H new ATOM 0 HG2 LYS A 75 3.970 8.460 -0.631 1.00 22.44 H new ATOM 0 HG3 LYS A 75 3.275 9.158 0.818 1.00 22.44 H new ATOM 0 HD2 LYS A 75 5.985 7.766 0.696 1.00 10.33 H new ATOM 0 HD3 LYS A 75 5.753 9.502 0.622 1.00 10.33 H new ATOM 0 HE2 LYS A 75 6.285 9.125 2.880 1.00 13.25 H new ATOM 0 HE3 LYS A 75 4.539 9.275 2.899 1.00 13.25 H new ATOM 0 HZ1 LYS A 75 5.605 7.357 4.167 1.00 61.31 H new ATOM 0 HZ2 LYS A 75 4.258 7.004 3.195 1.00 61.31 H new ATOM 0 HZ3 LYS A 75 5.821 6.621 2.652 1.00 61.31 H new ATOM 1157 N ILE A 76 3.771 3.821 1.720 1.00 33.40 N ATOM 1158 CA ILE A 76 3.141 2.556 2.094 1.00 4.51 C ATOM 1159 C ILE A 76 2.490 2.665 3.469 1.00 1.54 C ATOM 1160 O ILE A 76 3.172 2.827 4.484 1.00 10.41 O ATOM 1161 CB ILE A 76 4.154 1.380 2.099 1.00 3.42 C ATOM 1162 CG1 ILE A 76 4.860 1.271 0.733 1.00 74.54 C ATOM 1163 CG2 ILE A 76 3.452 0.063 2.453 1.00 12.50 C ATOM 1164 CD1 ILE A 76 5.925 0.190 0.670 1.00 43.02 C ATOM 0 H ILE A 76 4.524 4.119 2.340 1.00 33.40 H new ATOM 0 HA ILE A 76 2.380 2.348 1.342 1.00 4.51 H new ATOM 0 HB ILE A 76 4.908 1.579 2.860 1.00 3.42 H new ATOM 0 HG12 ILE A 76 4.112 1.075 -0.036 1.00 74.54 H new ATOM 0 HG13 ILE A 76 5.318 2.231 0.495 1.00 74.54 H new ATOM 0 HG21 ILE A 76 4.179 -0.749 2.451 1.00 12.50 H new ATOM 0 HG22 ILE A 76 3.002 0.145 3.442 1.00 12.50 H new ATOM 0 HG23 ILE A 76 2.675 -0.144 1.717 1.00 12.50 H new ATOM 0 HD11 ILE A 76 6.373 0.178 -0.323 1.00 43.02 H new ATOM 0 HD12 ILE A 76 6.695 0.394 1.414 1.00 43.02 H new ATOM 0 HD13 ILE A 76 5.472 -0.780 0.875 1.00 43.02 H new ATOM 1176 N TYR A 77 1.167 2.561 3.485 1.00 21.02 N ATOM 1177 CA TYR A 77 0.387 2.643 4.713 1.00 43.51 C ATOM 1178 C TYR A 77 -0.018 1.242 5.163 1.00 25.21 C ATOM 1179 O TYR A 77 0.052 0.289 4.384 1.00 12.31 O ATOM 1180 CB TYR A 77 -0.865 3.505 4.492 1.00 33.12 C ATOM 1181 CG TYR A 77 -0.569 4.962 4.178 1.00 3.44 C ATOM 1182 CD1 TYR A 77 -0.138 5.350 2.915 1.00 71.20 C ATOM 1183 CD2 TYR A 77 -0.720 5.946 5.146 1.00 52.24 C ATOM 1184 CE1 TYR A 77 0.133 6.673 2.629 1.00 44.53 C ATOM 1185 CE2 TYR A 77 -0.452 7.271 4.868 1.00 0.23 C ATOM 1186 CZ TYR A 77 -0.025 7.630 3.609 1.00 72.32 C ATOM 1187 OH TYR A 77 0.247 8.949 3.328 1.00 1.11 O ATOM 0 H TYR A 77 0.604 2.417 2.646 1.00 21.02 H new ATOM 0 HA TYR A 77 0.998 3.106 5.488 1.00 43.51 H new ATOM 0 HB2 TYR A 77 -1.446 3.079 3.674 1.00 33.12 H new ATOM 0 HB3 TYR A 77 -1.488 3.456 5.385 1.00 33.12 H new ATOM 0 HD1 TYR A 77 -0.013 4.604 2.144 1.00 71.20 H new ATOM 0 HD2 TYR A 77 -1.053 5.669 6.135 1.00 52.24 H new ATOM 0 HE1 TYR A 77 0.467 6.957 1.642 1.00 44.53 H new ATOM 0 HE2 TYR A 77 -0.577 8.022 5.634 1.00 0.23 H new ATOM 0 HH TYR A 77 0.084 9.494 4.126 1.00 1.11 H new ATOM 1197 N LYS A 78 -0.441 1.118 6.415 1.00 45.34 N ATOM 1198 CA LYS A 78 -0.886 -0.163 6.952 1.00 63.13 C ATOM 1199 C LYS A 78 -2.123 0.004 7.829 1.00 61.34 C ATOM 1200 O LYS A 78 -2.216 0.949 8.622 1.00 71.12 O ATOM 1201 CB LYS A 78 0.243 -0.837 7.748 1.00 13.24 C ATOM 1202 CG LYS A 78 -0.216 -2.037 8.576 1.00 3.23 C ATOM 1203 CD LYS A 78 0.955 -2.807 9.175 1.00 32.12 C ATOM 1204 CE LYS A 78 1.694 -3.620 8.118 1.00 54.45 C ATOM 1205 NZ LYS A 78 0.813 -4.639 7.490 1.00 53.52 N ATOM 0 H LYS A 78 -0.485 1.891 7.079 1.00 45.34 H new ATOM 0 HA LYS A 78 -1.152 -0.802 6.110 1.00 63.13 H new ATOM 0 HB2 LYS A 78 1.020 -1.161 7.055 1.00 13.24 H new ATOM 0 HB3 LYS A 78 0.696 -0.101 8.412 1.00 13.24 H new ATOM 0 HG2 LYS A 78 -0.871 -1.694 9.377 1.00 3.23 H new ATOM 0 HG3 LYS A 78 -0.805 -2.706 7.948 1.00 3.23 H new ATOM 0 HD2 LYS A 78 1.647 -2.109 9.647 1.00 32.12 H new ATOM 0 HD3 LYS A 78 0.591 -3.473 9.958 1.00 32.12 H new ATOM 0 HE2 LYS A 78 2.081 -2.951 7.350 1.00 54.45 H new ATOM 0 HE3 LYS A 78 2.553 -4.113 8.573 1.00 54.45 H new ATOM 0 HZ1 LYS A 78 1.077 -4.757 6.491 1.00 53.52 H new ATOM 0 HZ2 LYS A 78 0.922 -5.546 7.987 1.00 53.52 H new ATOM 0 HZ3 LYS A 78 -0.177 -4.327 7.552 1.00 53.52 H new ATOM 1219 N ILE A 79 -3.064 -0.923 7.665 1.00 73.44 N ATOM 1220 CA ILE A 79 -4.267 -0.996 8.487 1.00 14.21 C ATOM 1221 C ILE A 79 -4.375 -2.413 9.066 1.00 64.25 C ATOM 1222 O ILE A 79 -4.752 -3.359 8.376 1.00 11.22 O ATOM 1223 CB ILE A 79 -5.536 -0.592 7.665 1.00 33.35 C ATOM 1224 CG1 ILE A 79 -6.835 -0.667 8.507 1.00 21.03 C ATOM 1225 CG2 ILE A 79 -5.658 -1.427 6.388 1.00 71.22 C ATOM 1226 CD1 ILE A 79 -7.496 -2.033 8.551 1.00 54.02 C ATOM 0 H ILE A 79 -3.011 -1.650 6.952 1.00 73.44 H new ATOM 0 HA ILE A 79 -4.202 -0.284 9.310 1.00 14.21 H new ATOM 0 HB ILE A 79 -5.405 0.451 7.378 1.00 33.35 H new ATOM 0 HG12 ILE A 79 -6.607 -0.358 9.527 1.00 21.03 H new ATOM 0 HG13 ILE A 79 -7.550 0.053 8.108 1.00 21.03 H new ATOM 0 HG21 ILE A 79 -6.549 -1.123 5.838 1.00 71.22 H new ATOM 0 HG22 ILE A 79 -4.777 -1.271 5.766 1.00 71.22 H new ATOM 0 HG23 ILE A 79 -5.735 -2.482 6.649 1.00 71.22 H new ATOM 0 HD11 ILE A 79 -8.396 -1.982 9.164 1.00 54.02 H new ATOM 0 HD12 ILE A 79 -7.763 -2.341 7.540 1.00 54.02 H new ATOM 0 HD13 ILE A 79 -6.805 -2.758 8.981 1.00 54.02 H new ATOM 1238 N ASN A 80 -3.985 -2.559 10.329 1.00 15.45 N ATOM 1239 CA ASN A 80 -3.875 -3.879 10.960 1.00 72.31 C ATOM 1240 C ASN A 80 -4.703 -3.973 12.240 1.00 13.43 C ATOM 1241 O ASN A 80 -4.623 -4.967 12.967 1.00 40.15 O ATOM 1242 CB ASN A 80 -2.403 -4.191 11.273 1.00 23.20 C ATOM 1243 CG ASN A 80 -1.781 -3.190 12.234 1.00 62.21 C ATOM 1244 OD1 ASN A 80 -2.138 -2.012 12.241 1.00 70.14 O ATOM 1245 ND2 ASN A 80 -0.847 -3.650 13.054 1.00 3.54 N ATOM 0 H ASN A 80 -3.739 -1.780 10.940 1.00 15.45 H new ATOM 0 HA ASN A 80 -4.268 -4.611 10.255 1.00 72.31 H new ATOM 0 HB2 ASN A 80 -2.331 -5.191 11.700 1.00 23.20 H new ATOM 0 HB3 ASN A 80 -1.832 -4.199 10.344 1.00 23.20 H new ATOM 0 HD21 ASN A 80 -0.398 -3.021 13.720 1.00 3.54 H new ATOM 0 HD22 ASN A 80 -0.577 -4.633 13.019 1.00 3.54 H new ATOM 1252 N ILE A 81 -5.501 -2.951 12.509 1.00 44.24 N ATOM 1253 CA ILE A 81 -6.319 -2.916 13.718 1.00 54.44 C ATOM 1254 C ILE A 81 -7.535 -3.835 13.563 1.00 70.34 C ATOM 1255 O ILE A 81 -8.422 -3.560 12.760 1.00 12.11 O ATOM 1256 CB ILE A 81 -6.793 -1.473 14.034 1.00 41.05 C ATOM 1257 CG1 ILE A 81 -5.586 -0.520 14.114 1.00 15.11 C ATOM 1258 CG2 ILE A 81 -7.593 -1.441 15.338 1.00 60.15 C ATOM 1259 CD1 ILE A 81 -5.965 0.927 14.362 1.00 34.20 C ATOM 0 H ILE A 81 -5.602 -2.133 11.908 1.00 44.24 H new ATOM 0 HA ILE A 81 -5.703 -3.266 14.547 1.00 54.44 H new ATOM 0 HB ILE A 81 -7.445 -1.139 13.227 1.00 41.05 H new ATOM 0 HG12 ILE A 81 -4.923 -0.854 14.912 1.00 15.11 H new ATOM 0 HG13 ILE A 81 -5.022 -0.584 13.183 1.00 15.11 H new ATOM 0 HG21 ILE A 81 -7.916 -0.420 15.542 1.00 60.15 H new ATOM 0 HG22 ILE A 81 -8.466 -2.086 15.245 1.00 60.15 H new ATOM 0 HG23 ILE A 81 -6.967 -1.794 16.158 1.00 60.15 H new ATOM 0 HD11 ILE A 81 -5.063 1.537 14.406 1.00 34.20 H new ATOM 0 HD12 ILE A 81 -6.603 1.280 13.552 1.00 34.20 H new ATOM 0 HD13 ILE A 81 -6.502 1.006 15.307 1.00 34.20 H new ATOM 1271 N GLU A 82 -7.575 -4.921 14.334 1.00 23.53 N ATOM 1272 CA GLU A 82 -8.658 -5.906 14.227 1.00 24.31 C ATOM 1273 C GLU A 82 -10.021 -5.272 14.532 1.00 41.33 C ATOM 1274 O GLU A 82 -11.044 -5.677 13.978 1.00 42.13 O ATOM 1275 CB GLU A 82 -8.398 -7.104 15.158 1.00 30.31 C ATOM 1276 CG GLU A 82 -8.273 -6.740 16.635 1.00 21.45 C ATOM 1277 CD GLU A 82 -8.006 -7.951 17.516 1.00 2.13 C ATOM 1278 OE1 GLU A 82 -8.977 -8.610 17.946 1.00 34.40 O ATOM 1279 OE2 GLU A 82 -6.824 -8.258 17.775 1.00 44.44 O ATOM 0 H GLU A 82 -6.873 -5.144 15.039 1.00 23.53 H new ATOM 0 HA GLU A 82 -8.679 -6.265 13.198 1.00 24.31 H new ATOM 0 HB2 GLU A 82 -9.209 -7.822 15.041 1.00 30.31 H new ATOM 0 HB3 GLU A 82 -7.482 -7.603 14.841 1.00 30.31 H new ATOM 0 HG2 GLU A 82 -7.465 -6.019 16.760 1.00 21.45 H new ATOM 0 HG3 GLU A 82 -9.190 -6.251 16.964 1.00 21.45 H new ATOM 1286 N ASP A 83 -10.020 -4.268 15.407 1.00 3.04 N ATOM 1287 CA ASP A 83 -11.242 -3.546 15.769 1.00 43.04 C ATOM 1288 C ASP A 83 -11.707 -2.645 14.620 1.00 52.02 C ATOM 1289 O ASP A 83 -12.888 -2.307 14.512 1.00 53.24 O ATOM 1290 CB ASP A 83 -10.991 -2.700 17.025 1.00 72.33 C ATOM 1291 CG ASP A 83 -12.203 -1.880 17.446 1.00 33.01 C ATOM 1292 OD1 ASP A 83 -13.123 -2.448 18.071 1.00 14.24 O ATOM 1293 OD2 ASP A 83 -12.238 -0.666 17.156 1.00 61.25 O ATOM 0 H ASP A 83 -9.182 -3.933 15.882 1.00 3.04 H new ATOM 0 HA ASP A 83 -12.026 -4.276 15.971 1.00 43.04 H new ATOM 0 HB2 ASP A 83 -10.701 -3.356 17.846 1.00 72.33 H new ATOM 0 HB3 ASP A 83 -10.152 -2.029 16.842 1.00 72.33 H new ATOM 1298 N ASN A 84 -10.770 -2.281 13.751 1.00 14.33 N ATOM 1299 CA ASN A 84 -11.030 -1.329 12.672 1.00 42.53 C ATOM 1300 C ASN A 84 -10.683 -1.946 11.319 1.00 24.42 C ATOM 1301 O ASN A 84 -9.539 -1.874 10.880 1.00 3.24 O ATOM 1302 CB ASN A 84 -10.204 -0.051 12.896 1.00 55.05 C ATOM 1303 CG ASN A 84 -10.775 0.860 13.974 1.00 22.24 C ATOM 1304 OD1 ASN A 84 -11.576 1.751 13.687 1.00 32.04 O ATOM 1305 ND2 ASN A 84 -10.359 0.663 15.215 1.00 4.02 N ATOM 0 H ASN A 84 -9.813 -2.634 13.772 1.00 14.33 H new ATOM 0 HA ASN A 84 -12.090 -1.077 12.675 1.00 42.53 H new ATOM 0 HB2 ASN A 84 -9.186 -0.329 13.168 1.00 55.05 H new ATOM 0 HB3 ASN A 84 -10.144 0.502 11.959 1.00 55.05 H new ATOM 0 HD21 ASN A 84 -10.702 1.258 15.969 1.00 4.02 H new ATOM 0 HD22 ASN A 84 -9.695 -0.084 15.418 1.00 4.02 H new ATOM 1312 N GLN A 85 -11.670 -2.569 10.670 1.00 44.15 N ATOM 1313 CA GLN A 85 -11.443 -3.256 9.391 1.00 3.40 C ATOM 1314 C GLN A 85 -12.591 -3.048 8.402 1.00 61.35 C ATOM 1315 O GLN A 85 -12.662 -3.744 7.384 1.00 4.32 O ATOM 1316 CB GLN A 85 -11.233 -4.762 9.619 1.00 23.13 C ATOM 1317 CG GLN A 85 -9.820 -5.137 10.053 1.00 41.42 C ATOM 1318 CD GLN A 85 -9.625 -6.640 10.153 1.00 24.25 C ATOM 1319 OE1 GLN A 85 -10.295 -7.414 9.466 1.00 42.32 O ATOM 1320 NE2 GLN A 85 -8.675 -7.062 10.973 1.00 0.32 N ATOM 0 H GLN A 85 -12.632 -2.613 11.006 1.00 44.15 H new ATOM 0 HA GLN A 85 -10.545 -2.817 8.956 1.00 3.40 H new ATOM 0 HB2 GLN A 85 -11.937 -5.105 10.377 1.00 23.13 H new ATOM 0 HB3 GLN A 85 -11.472 -5.294 8.698 1.00 23.13 H new ATOM 0 HG2 GLN A 85 -9.103 -4.727 9.341 1.00 41.42 H new ATOM 0 HG3 GLN A 85 -9.606 -4.680 11.019 1.00 41.42 H new ATOM 0 HE21 GLN A 85 -8.142 -6.390 11.525 1.00 0.32 H new ATOM 0 HE22 GLN A 85 -8.476 -8.059 11.053 1.00 0.32 H new ATOM 1329 N ASP A 86 -13.463 -2.078 8.669 1.00 12.41 N ATOM 1330 CA ASP A 86 -14.598 -1.802 7.778 1.00 25.51 C ATOM 1331 C ASP A 86 -14.107 -1.633 6.342 1.00 1.53 C ATOM 1332 O ASP A 86 -14.668 -2.206 5.402 1.00 72.23 O ATOM 1333 CB ASP A 86 -15.358 -0.545 8.232 1.00 11.10 C ATOM 1334 CG ASP A 86 -16.201 -0.776 9.478 1.00 74.34 C ATOM 1335 OD1 ASP A 86 -15.635 -0.812 10.594 1.00 13.00 O ATOM 1336 OD2 ASP A 86 -17.440 -0.903 9.347 1.00 52.12 O ATOM 0 H ASP A 86 -13.410 -1.472 9.488 1.00 12.41 H new ATOM 0 HA ASP A 86 -15.284 -2.648 7.822 1.00 25.51 H new ATOM 0 HB2 ASP A 86 -14.643 0.254 8.427 1.00 11.10 H new ATOM 0 HB3 ASP A 86 -16.003 -0.205 7.422 1.00 11.10 H new ATOM 1341 N VAL A 87 -13.024 -0.876 6.198 1.00 2.22 N ATOM 1342 CA VAL A 87 -12.384 -0.653 4.907 1.00 13.10 C ATOM 1343 C VAL A 87 -11.993 -1.981 4.255 1.00 55.11 C ATOM 1344 O VAL A 87 -12.152 -2.163 3.045 1.00 2.12 O ATOM 1345 CB VAL A 87 -11.120 0.233 5.066 1.00 24.54 C ATOM 1346 CG1 VAL A 87 -10.353 0.345 3.748 1.00 34.15 C ATOM 1347 CG2 VAL A 87 -11.492 1.619 5.592 1.00 73.22 C ATOM 0 H VAL A 87 -12.565 -0.399 6.974 1.00 2.22 H new ATOM 0 HA VAL A 87 -13.103 -0.141 4.267 1.00 13.10 H new ATOM 0 HB VAL A 87 -10.467 -0.247 5.794 1.00 24.54 H new ATOM 0 HG11 VAL A 87 -9.473 0.972 3.891 1.00 34.15 H new ATOM 0 HG12 VAL A 87 -10.042 -0.648 3.422 1.00 34.15 H new ATOM 0 HG13 VAL A 87 -10.996 0.791 2.989 1.00 34.15 H new ATOM 0 HG21 VAL A 87 -10.590 2.223 5.696 1.00 73.22 H new ATOM 0 HG22 VAL A 87 -12.174 2.102 4.893 1.00 73.22 H new ATOM 0 HG23 VAL A 87 -11.977 1.521 6.563 1.00 73.22 H new ATOM 1357 N ALA A 88 -11.519 -2.922 5.068 1.00 24.00 N ATOM 1358 CA ALA A 88 -11.027 -4.198 4.557 1.00 42.23 C ATOM 1359 C ALA A 88 -12.171 -4.997 3.941 1.00 2.45 C ATOM 1360 O ALA A 88 -12.024 -5.611 2.879 1.00 50.02 O ATOM 1361 CB ALA A 88 -10.351 -4.992 5.669 1.00 62.15 C ATOM 0 H ALA A 88 -11.465 -2.825 6.082 1.00 24.00 H new ATOM 0 HA ALA A 88 -10.287 -4.002 3.781 1.00 42.23 H new ATOM 0 HB1 ALA A 88 -9.990 -5.940 5.271 1.00 62.15 H new ATOM 0 HB2 ALA A 88 -9.511 -4.421 6.065 1.00 62.15 H new ATOM 0 HB3 ALA A 88 -11.068 -5.183 6.467 1.00 62.15 H new ATOM 1367 N THR A 89 -13.316 -4.964 4.610 1.00 62.23 N ATOM 1368 CA THR A 89 -14.503 -5.669 4.146 1.00 52.53 C ATOM 1369 C THR A 89 -15.108 -4.975 2.919 1.00 21.44 C ATOM 1370 O THR A 89 -15.610 -5.635 2.007 1.00 14.13 O ATOM 1371 CB THR A 89 -15.556 -5.770 5.278 1.00 51.54 C ATOM 1372 OG1 THR A 89 -14.986 -6.445 6.413 1.00 10.22 O ATOM 1373 CG2 THR A 89 -16.803 -6.520 4.818 1.00 24.00 C ATOM 0 H THR A 89 -13.448 -4.452 5.482 1.00 62.23 H new ATOM 0 HA THR A 89 -14.203 -6.677 3.858 1.00 52.53 H new ATOM 0 HB THR A 89 -15.849 -4.757 5.553 1.00 51.54 H new ATOM 0 HG1 THR A 89 -15.654 -6.505 7.127 1.00 10.22 H new ATOM 0 HG21 THR A 89 -17.520 -6.572 5.638 1.00 24.00 H new ATOM 0 HG22 THR A 89 -17.253 -5.995 3.975 1.00 24.00 H new ATOM 0 HG23 THR A 89 -16.528 -7.530 4.512 1.00 24.00 H new ATOM 1381 N GLN A 90 -15.043 -3.644 2.897 1.00 72.22 N ATOM 1382 CA GLN A 90 -15.609 -2.865 1.795 1.00 54.01 C ATOM 1383 C GLN A 90 -14.828 -3.068 0.494 1.00 22.21 C ATOM 1384 O GLN A 90 -15.418 -3.260 -0.571 1.00 45.43 O ATOM 1385 CB GLN A 90 -15.650 -1.372 2.156 1.00 74.10 C ATOM 1386 CG GLN A 90 -16.656 -1.022 3.252 1.00 43.41 C ATOM 1387 CD GLN A 90 -18.106 -1.196 2.820 1.00 53.03 C ATOM 1388 OE1 GLN A 90 -18.433 -2.043 1.988 1.00 52.24 O ATOM 1389 NE2 GLN A 90 -18.989 -0.383 3.378 1.00 50.50 N ATOM 0 H GLN A 90 -14.605 -3.083 3.628 1.00 72.22 H new ATOM 0 HA GLN A 90 -16.626 -3.223 1.634 1.00 54.01 H new ATOM 0 HB2 GLN A 90 -14.656 -1.059 2.477 1.00 74.10 H new ATOM 0 HB3 GLN A 90 -15.891 -0.799 1.260 1.00 74.10 H new ATOM 0 HG2 GLN A 90 -16.466 -1.649 4.123 1.00 43.41 H new ATOM 0 HG3 GLN A 90 -16.499 0.011 3.563 1.00 43.41 H new ATOM 0 HE21 GLN A 90 -18.684 0.308 4.064 1.00 50.50 H new ATOM 0 HE22 GLN A 90 -19.974 -0.447 3.122 1.00 50.50 H new ATOM 1398 N TYR A 91 -13.502 -3.009 0.577 1.00 15.21 N ATOM 1399 CA TYR A 91 -12.655 -3.144 -0.611 1.00 53.33 C ATOM 1400 C TYR A 91 -12.343 -4.607 -0.916 1.00 23.31 C ATOM 1401 O TYR A 91 -12.032 -4.956 -2.056 1.00 54.02 O ATOM 1402 CB TYR A 91 -11.368 -2.324 -0.454 1.00 62.50 C ATOM 1403 CG TYR A 91 -11.622 -0.826 -0.483 1.00 11.13 C ATOM 1404 CD1 TYR A 91 -11.982 -0.139 0.670 1.00 21.32 C ATOM 1405 CD2 TYR A 91 -11.526 -0.103 -1.671 1.00 2.35 C ATOM 1406 CE1 TYR A 91 -12.236 1.220 0.644 1.00 45.52 C ATOM 1407 CE2 TYR A 91 -11.774 1.257 -1.701 1.00 5.24 C ATOM 1408 CZ TYR A 91 -12.131 1.912 -0.543 1.00 0.11 C ATOM 1409 OH TYR A 91 -12.387 3.265 -0.571 1.00 30.21 O ATOM 0 H TYR A 91 -12.990 -2.869 1.448 1.00 15.21 H new ATOM 0 HA TYR A 91 -13.210 -2.748 -1.462 1.00 53.33 H new ATOM 0 HB2 TYR A 91 -10.885 -2.589 0.487 1.00 62.50 H new ATOM 0 HB3 TYR A 91 -10.675 -2.587 -1.253 1.00 62.50 H new ATOM 0 HD1 TYR A 91 -12.065 -0.676 1.603 1.00 21.32 H new ATOM 0 HD2 TYR A 91 -11.253 -0.613 -2.583 1.00 2.35 H new ATOM 0 HE1 TYR A 91 -12.515 1.737 1.550 1.00 45.52 H new ATOM 0 HE2 TYR A 91 -11.688 1.803 -2.629 1.00 5.24 H new ATOM 0 HH TYR A 91 -12.267 3.602 -1.484 1.00 30.21 H new ATOM 1419 N GLY A 92 -12.422 -5.462 0.100 1.00 35.15 N ATOM 1420 CA GLY A 92 -12.287 -6.892 -0.121 1.00 33.22 C ATOM 1421 C GLY A 92 -10.877 -7.398 0.110 1.00 72.12 C ATOM 1422 O GLY A 92 -10.106 -7.582 -0.837 1.00 20.33 O ATOM 0 H GLY A 92 -12.577 -5.191 1.071 1.00 35.15 H new ATOM 0 HA2 GLY A 92 -12.970 -7.422 0.542 1.00 33.22 H new ATOM 0 HA3 GLY A 92 -12.588 -7.126 -1.142 1.00 33.22 H new ATOM 1426 N VAL A 93 -10.531 -7.607 1.373 1.00 22.12 N ATOM 1427 CA VAL A 93 -9.267 -8.238 1.738 1.00 54.52 C ATOM 1428 C VAL A 93 -9.513 -9.712 2.058 1.00 20.23 C ATOM 1429 O VAL A 93 -10.514 -10.052 2.692 1.00 61.22 O ATOM 1430 CB VAL A 93 -8.620 -7.531 2.956 1.00 41.32 C ATOM 1431 CG1 VAL A 93 -7.329 -8.230 3.371 1.00 41.04 C ATOM 1432 CG2 VAL A 93 -8.365 -6.053 2.648 1.00 40.32 C ATOM 0 H VAL A 93 -11.113 -7.347 2.169 1.00 22.12 H new ATOM 0 HA VAL A 93 -8.579 -8.152 0.897 1.00 54.52 H new ATOM 0 HB VAL A 93 -9.316 -7.591 3.792 1.00 41.32 H new ATOM 0 HG11 VAL A 93 -6.895 -7.714 4.228 1.00 41.04 H new ATOM 0 HG12 VAL A 93 -7.546 -9.264 3.641 1.00 41.04 H new ATOM 0 HG13 VAL A 93 -6.623 -8.212 2.541 1.00 41.04 H new ATOM 0 HG21 VAL A 93 -7.911 -5.574 3.515 1.00 40.32 H new ATOM 0 HG22 VAL A 93 -7.693 -5.970 1.794 1.00 40.32 H new ATOM 0 HG23 VAL A 93 -9.310 -5.562 2.416 1.00 40.32 H new ATOM 1442 N SER A 94 -8.621 -10.592 1.607 1.00 12.10 N ATOM 1443 CA SER A 94 -8.833 -12.030 1.761 1.00 62.32 C ATOM 1444 C SER A 94 -7.532 -12.770 2.091 1.00 75.23 C ATOM 1445 O SER A 94 -7.454 -13.993 1.953 1.00 3.43 O ATOM 1446 CB SER A 94 -9.458 -12.587 0.474 1.00 73.34 C ATOM 1447 OG SER A 94 -10.641 -11.875 0.139 1.00 52.32 O ATOM 0 H SER A 94 -7.752 -10.338 1.136 1.00 12.10 H new ATOM 0 HA SER A 94 -9.510 -12.189 2.601 1.00 62.32 H new ATOM 0 HB2 SER A 94 -8.741 -12.516 -0.344 1.00 73.34 H new ATOM 0 HB3 SER A 94 -9.689 -13.644 0.604 1.00 73.34 H new ATOM 0 HG SER A 94 -11.023 -12.244 -0.685 1.00 52.32 H new ATOM 1453 N ALA A 95 -6.528 -12.033 2.553 1.00 11.20 N ATOM 1454 CA ALA A 95 -5.242 -12.630 2.911 1.00 41.44 C ATOM 1455 C ALA A 95 -4.579 -11.835 4.030 1.00 51.23 C ATOM 1456 O ALA A 95 -4.819 -10.635 4.169 1.00 1.11 O ATOM 1457 CB ALA A 95 -4.326 -12.703 1.691 1.00 1.13 C ATOM 0 H ALA A 95 -6.577 -11.023 2.689 1.00 11.20 H new ATOM 0 HA ALA A 95 -5.421 -13.645 3.267 1.00 41.44 H new ATOM 0 HB1 ALA A 95 -3.374 -13.150 1.977 1.00 1.13 H new ATOM 0 HB2 ALA A 95 -4.796 -13.313 0.919 1.00 1.13 H new ATOM 0 HB3 ALA A 95 -4.154 -11.698 1.305 1.00 1.13 H new ATOM 1463 N ILE A 96 -3.751 -12.509 4.825 1.00 33.51 N ATOM 1464 CA ILE A 96 -3.024 -11.856 5.911 1.00 24.23 C ATOM 1465 C ILE A 96 -2.121 -10.737 5.360 1.00 51.24 C ATOM 1466 O ILE A 96 -2.154 -9.611 5.867 1.00 40.32 O ATOM 1467 CB ILE A 96 -2.190 -12.875 6.739 1.00 1.42 C ATOM 1468 CG1 ILE A 96 -3.102 -13.989 7.285 1.00 20.41 C ATOM 1469 CG2 ILE A 96 -1.451 -12.174 7.877 1.00 14.25 C ATOM 1470 CD1 ILE A 96 -2.371 -15.055 8.077 1.00 42.44 C ATOM 0 H ILE A 96 -3.567 -13.508 4.737 1.00 33.51 H new ATOM 0 HA ILE A 96 -3.761 -11.414 6.582 1.00 24.23 H new ATOM 0 HB ILE A 96 -1.445 -13.326 6.083 1.00 1.42 H new ATOM 0 HG12 ILE A 96 -3.866 -13.540 7.920 1.00 20.41 H new ATOM 0 HG13 ILE A 96 -3.619 -14.462 6.450 1.00 20.41 H new ATOM 0 HG21 ILE A 96 -0.875 -12.906 8.442 1.00 14.25 H new ATOM 0 HG22 ILE A 96 -0.778 -11.422 7.465 1.00 14.25 H new ATOM 0 HG23 ILE A 96 -2.172 -11.692 8.537 1.00 14.25 H new ATOM 0 HD11 ILE A 96 -3.084 -15.802 8.426 1.00 42.44 H new ATOM 0 HD12 ILE A 96 -1.626 -15.534 7.441 1.00 42.44 H new ATOM 0 HD13 ILE A 96 -1.877 -14.597 8.934 1.00 42.44 H new ATOM 1482 N PRO A 97 -1.296 -11.019 4.321 1.00 43.24 N ATOM 1483 CA PRO A 97 -0.567 -9.989 3.593 1.00 43.12 C ATOM 1484 C PRO A 97 -1.330 -9.559 2.335 1.00 5.12 C ATOM 1485 O PRO A 97 -1.496 -10.345 1.397 1.00 72.44 O ATOM 1486 CB PRO A 97 0.744 -10.701 3.239 1.00 63.52 C ATOM 1487 CG PRO A 97 0.391 -12.160 3.129 1.00 13.11 C ATOM 1488 CD PRO A 97 -0.967 -12.353 3.781 1.00 20.21 C ATOM 0 HA PRO A 97 -0.419 -9.071 4.162 1.00 43.12 H new ATOM 0 HB2 PRO A 97 1.155 -10.325 2.302 1.00 63.52 H new ATOM 0 HB3 PRO A 97 1.500 -10.537 4.007 1.00 63.52 H new ATOM 0 HG2 PRO A 97 0.362 -12.469 2.084 1.00 13.11 H new ATOM 0 HG3 PRO A 97 1.144 -12.775 3.623 1.00 13.11 H new ATOM 0 HD2 PRO A 97 -1.713 -12.687 3.059 1.00 20.21 H new ATOM 0 HD3 PRO A 97 -0.928 -13.104 4.570 1.00 20.21 H new ATOM 1496 N THR A 98 -1.809 -8.324 2.323 1.00 34.03 N ATOM 1497 CA THR A 98 -2.616 -7.820 1.219 1.00 30.40 C ATOM 1498 C THR A 98 -2.334 -6.341 1.001 1.00 12.01 C ATOM 1499 O THR A 98 -2.586 -5.521 1.883 1.00 55.31 O ATOM 1500 CB THR A 98 -4.129 -8.012 1.484 1.00 33.54 C ATOM 1501 OG1 THR A 98 -4.414 -9.390 1.758 1.00 1.41 O ATOM 1502 CG2 THR A 98 -4.966 -7.551 0.292 1.00 32.43 C ATOM 0 H THR A 98 -1.652 -7.648 3.070 1.00 34.03 H new ATOM 0 HA THR A 98 -2.346 -8.389 0.329 1.00 30.40 H new ATOM 0 HB THR A 98 -4.391 -7.403 2.349 1.00 33.54 H new ATOM 0 HG1 THR A 98 -4.519 -9.516 2.724 1.00 1.41 H new ATOM 0 HG21 THR A 98 -6.023 -7.699 0.511 1.00 32.43 H new ATOM 0 HG22 THR A 98 -4.779 -6.494 0.104 1.00 32.43 H new ATOM 0 HG23 THR A 98 -4.693 -8.130 -0.590 1.00 32.43 H new ATOM 1510 N ILE A 99 -1.837 -6.005 -0.183 1.00 12.10 N ATOM 1511 CA ILE A 99 -1.447 -4.637 -0.490 1.00 54.04 C ATOM 1512 C ILE A 99 -2.419 -4.027 -1.495 1.00 13.40 C ATOM 1513 O ILE A 99 -2.467 -4.435 -2.655 1.00 4.24 O ATOM 1514 CB ILE A 99 -0.006 -4.574 -1.080 1.00 10.11 C ATOM 1515 CG1 ILE A 99 1.047 -5.078 -0.068 1.00 1.30 C ATOM 1516 CG2 ILE A 99 0.333 -3.152 -1.526 1.00 62.32 C ATOM 1517 CD1 ILE A 99 1.068 -6.584 0.122 1.00 14.24 C ATOM 0 H ILE A 99 -1.695 -6.665 -0.948 1.00 12.10 H new ATOM 0 HA ILE A 99 -1.469 -4.073 0.443 1.00 54.04 H new ATOM 0 HB ILE A 99 0.019 -5.233 -1.948 1.00 10.11 H new ATOM 0 HG12 ILE A 99 2.034 -4.752 -0.397 1.00 1.30 H new ATOM 0 HG13 ILE A 99 0.861 -4.605 0.896 1.00 1.30 H new ATOM 0 HG21 ILE A 99 1.343 -3.130 -1.935 1.00 62.32 H new ATOM 0 HG22 ILE A 99 -0.375 -2.832 -2.291 1.00 62.32 H new ATOM 0 HG23 ILE A 99 0.273 -2.478 -0.671 1.00 62.32 H new ATOM 0 HD11 ILE A 99 1.836 -6.848 0.849 1.00 14.24 H new ATOM 0 HD12 ILE A 99 0.096 -6.919 0.484 1.00 14.24 H new ATOM 0 HD13 ILE A 99 1.287 -7.068 -0.830 1.00 14.24 H new ATOM 1529 N LEU A 100 -3.206 -3.063 -1.037 1.00 44.25 N ATOM 1530 CA LEU A 100 -4.108 -2.325 -1.910 1.00 3.13 C ATOM 1531 C LEU A 100 -3.376 -1.107 -2.453 1.00 32.54 C ATOM 1532 O LEU A 100 -2.872 -0.289 -1.685 1.00 75.53 O ATOM 1533 CB LEU A 100 -5.379 -1.888 -1.158 1.00 5.34 C ATOM 1534 CG LEU A 100 -6.314 -3.025 -0.697 1.00 4.14 C ATOM 1535 CD1 LEU A 100 -5.674 -3.854 0.414 1.00 41.02 C ATOM 1536 CD2 LEU A 100 -7.662 -2.462 -0.249 1.00 34.13 C ATOM 0 H LEU A 100 -3.238 -2.773 -0.060 1.00 44.25 H new ATOM 0 HA LEU A 100 -4.417 -2.973 -2.730 1.00 3.13 H new ATOM 0 HB2 LEU A 100 -5.080 -1.312 -0.282 1.00 5.34 H new ATOM 0 HB3 LEU A 100 -5.946 -1.216 -1.802 1.00 5.34 H new ATOM 0 HG LEU A 100 -6.482 -3.687 -1.546 1.00 4.14 H new ATOM 0 HD11 LEU A 100 -6.358 -4.647 0.717 1.00 41.02 H new ATOM 0 HD12 LEU A 100 -4.746 -4.295 0.050 1.00 41.02 H new ATOM 0 HD13 LEU A 100 -5.460 -3.213 1.269 1.00 41.02 H new ATOM 0 HD21 LEU A 100 -8.309 -3.278 0.073 1.00 34.13 H new ATOM 0 HD22 LEU A 100 -7.510 -1.771 0.580 1.00 34.13 H new ATOM 0 HD23 LEU A 100 -8.130 -1.934 -1.080 1.00 34.13 H new ATOM 1548 N MET A 101 -3.310 -0.994 -3.770 1.00 71.01 N ATOM 1549 CA MET A 101 -2.574 0.086 -4.410 1.00 22.42 C ATOM 1550 C MET A 101 -3.544 1.171 -4.874 1.00 13.25 C ATOM 1551 O MET A 101 -4.672 0.873 -5.270 1.00 1.50 O ATOM 1552 CB MET A 101 -1.768 -0.460 -5.602 1.00 74.40 C ATOM 1553 CG MET A 101 -0.949 -1.708 -5.280 1.00 44.05 C ATOM 1554 SD MET A 101 0.213 -2.145 -6.591 1.00 15.04 S ATOM 1555 CE MET A 101 1.325 -0.739 -6.541 1.00 62.34 C ATOM 0 H MET A 101 -3.759 -1.640 -4.419 1.00 71.01 H new ATOM 0 HA MET A 101 -1.879 0.521 -3.691 1.00 22.42 H new ATOM 0 HB2 MET A 101 -2.455 -0.689 -6.417 1.00 74.40 H new ATOM 0 HB3 MET A 101 -1.096 0.320 -5.961 1.00 74.40 H new ATOM 0 HG2 MET A 101 -0.399 -1.546 -4.353 1.00 44.05 H new ATOM 0 HG3 MET A 101 -1.625 -2.545 -5.107 1.00 44.05 H new ATOM 0 HE1 MET A 101 1.198 -0.143 -7.445 1.00 62.34 H new ATOM 0 HE2 MET A 101 1.099 -0.127 -5.668 1.00 62.34 H new ATOM 0 HE3 MET A 101 2.355 -1.091 -6.480 1.00 62.34 H new ATOM 1565 N PHE A 102 -3.105 2.425 -4.808 1.00 74.55 N ATOM 1566 CA PHE A 102 -3.891 3.570 -5.275 1.00 73.35 C ATOM 1567 C PHE A 102 -2.951 4.647 -5.800 1.00 53.11 C ATOM 1568 O PHE A 102 -1.760 4.633 -5.488 1.00 2.44 O ATOM 1569 CB PHE A 102 -4.759 4.145 -4.140 1.00 62.41 C ATOM 1570 CG PHE A 102 -5.850 3.212 -3.670 1.00 42.03 C ATOM 1571 CD1 PHE A 102 -7.067 3.158 -4.336 1.00 54.12 C ATOM 1572 CD2 PHE A 102 -5.656 2.387 -2.571 1.00 45.12 C ATOM 1573 CE1 PHE A 102 -8.065 2.302 -3.914 1.00 62.33 C ATOM 1574 CE2 PHE A 102 -6.651 1.528 -2.148 1.00 10.15 C ATOM 1575 CZ PHE A 102 -7.858 1.485 -2.820 1.00 62.33 C ATOM 0 H PHE A 102 -2.193 2.679 -4.429 1.00 74.55 H new ATOM 0 HA PHE A 102 -4.553 3.234 -6.073 1.00 73.35 H new ATOM 0 HB2 PHE A 102 -4.117 4.392 -3.295 1.00 62.41 H new ATOM 0 HB3 PHE A 102 -5.212 5.076 -4.479 1.00 62.41 H new ATOM 0 HD1 PHE A 102 -7.235 3.793 -5.194 1.00 54.12 H new ATOM 0 HD2 PHE A 102 -4.716 2.417 -2.040 1.00 45.12 H new ATOM 0 HE1 PHE A 102 -9.008 2.271 -4.440 1.00 62.33 H new ATOM 0 HE2 PHE A 102 -6.486 0.890 -1.292 1.00 10.15 H new ATOM 0 HZ PHE A 102 -8.637 0.814 -2.490 1.00 62.33 H new ATOM 1585 N LYS A 103 -3.469 5.570 -6.608 1.00 32.13 N ATOM 1586 CA LYS A 103 -2.662 6.703 -7.073 1.00 61.23 C ATOM 1587 C LYS A 103 -3.513 7.962 -7.172 1.00 33.22 C ATOM 1588 O LYS A 103 -4.431 8.027 -7.987 1.00 71.41 O ATOM 1589 CB LYS A 103 -2.006 6.406 -8.433 1.00 24.11 C ATOM 1590 CG LYS A 103 -1.012 7.487 -8.868 1.00 0.44 C ATOM 1591 CD LYS A 103 -0.312 7.156 -10.188 1.00 63.43 C ATOM 1592 CE LYS A 103 -1.280 7.140 -11.366 1.00 2.24 C ATOM 1593 NZ LYS A 103 -0.567 7.006 -12.663 1.00 75.20 N ATOM 0 H LYS A 103 -4.429 5.560 -6.952 1.00 32.13 H new ATOM 0 HA LYS A 103 -1.871 6.864 -6.341 1.00 61.23 H new ATOM 0 HB2 LYS A 103 -1.491 5.447 -8.380 1.00 24.11 H new ATOM 0 HB3 LYS A 103 -2.783 6.309 -9.191 1.00 24.11 H new ATOM 0 HG2 LYS A 103 -1.537 8.437 -8.969 1.00 0.44 H new ATOM 0 HG3 LYS A 103 -0.262 7.619 -8.088 1.00 0.44 H new ATOM 0 HD2 LYS A 103 0.473 7.889 -10.375 1.00 63.43 H new ATOM 0 HD3 LYS A 103 0.173 6.184 -10.106 1.00 63.43 H new ATOM 0 HE2 LYS A 103 -1.981 6.314 -11.249 1.00 2.24 H new ATOM 0 HE3 LYS A 103 -1.867 8.058 -11.367 1.00 2.24 H new ATOM 0 HZ1 LYS A 103 -1.260 6.948 -13.436 1.00 75.20 H new ATOM 0 HZ2 LYS A 103 0.046 7.833 -12.809 1.00 75.20 H new ATOM 0 HZ3 LYS A 103 0.013 6.143 -12.653 1.00 75.20 H new ATOM 1607 N ASN A 104 -3.208 8.957 -6.335 1.00 45.13 N ATOM 1608 CA ASN A 104 -3.964 10.221 -6.305 1.00 65.34 C ATOM 1609 C ASN A 104 -5.418 9.944 -5.912 1.00 60.01 C ATOM 1610 O ASN A 104 -6.330 10.697 -6.249 1.00 63.24 O ATOM 1611 CB ASN A 104 -3.897 10.913 -7.683 1.00 35.42 C ATOM 1612 CG ASN A 104 -4.371 12.362 -7.661 1.00 4.13 C ATOM 1613 OD1 ASN A 104 -3.579 13.276 -7.453 1.00 72.13 O ATOM 1614 ND2 ASN A 104 -5.657 12.582 -7.877 1.00 0.12 N ATOM 0 H ASN A 104 -2.440 8.915 -5.665 1.00 45.13 H new ATOM 0 HA ASN A 104 -3.521 10.887 -5.565 1.00 65.34 H new ATOM 0 HB2 ASN A 104 -2.870 10.881 -8.047 1.00 35.42 H new ATOM 0 HB3 ASN A 104 -4.505 10.351 -8.392 1.00 35.42 H new ATOM 0 HD21 ASN A 104 -6.019 13.536 -7.874 1.00 0.12 H new ATOM 0 HD22 ASN A 104 -6.287 11.798 -8.047 1.00 0.12 H new ATOM 1621 N GLY A 105 -5.620 8.851 -5.190 1.00 62.11 N ATOM 1622 CA GLY A 105 -6.958 8.431 -4.823 1.00 21.23 C ATOM 1623 C GLY A 105 -7.616 7.610 -5.918 1.00 42.13 C ATOM 1624 O GLY A 105 -8.630 6.951 -5.682 1.00 73.04 O ATOM 0 H GLY A 105 -4.875 8.243 -4.849 1.00 62.11 H new ATOM 0 HA2 GLY A 105 -6.915 7.844 -3.906 1.00 21.23 H new ATOM 0 HA3 GLY A 105 -7.568 9.309 -4.611 1.00 21.23 H new ATOM 1628 N LYS A 106 -7.033 7.648 -7.118 1.00 21.22 N ATOM 1629 CA LYS A 106 -7.546 6.889 -8.255 1.00 53.21 C ATOM 1630 C LYS A 106 -7.325 5.399 -8.024 1.00 24.04 C ATOM 1631 O LYS A 106 -6.287 4.996 -7.471 1.00 52.30 O ATOM 1632 CB LYS A 106 -6.862 7.328 -9.561 1.00 22.52 C ATOM 1633 CG LYS A 106 -7.404 6.627 -10.805 1.00 72.44 C ATOM 1634 CD LYS A 106 -6.751 7.144 -12.083 1.00 13.12 C ATOM 1635 CE LYS A 106 -7.241 6.387 -13.312 1.00 1.52 C ATOM 1636 NZ LYS A 106 -8.719 6.458 -13.462 1.00 74.20 N ATOM 0 H LYS A 106 -6.201 8.200 -7.326 1.00 21.22 H new ATOM 0 HA LYS A 106 -8.614 7.085 -8.347 1.00 53.21 H new ATOM 0 HB2 LYS A 106 -6.983 8.405 -9.680 1.00 22.52 H new ATOM 0 HB3 LYS A 106 -5.792 7.134 -9.483 1.00 22.52 H new ATOM 0 HG2 LYS A 106 -7.234 5.554 -10.719 1.00 72.44 H new ATOM 0 HG3 LYS A 106 -8.482 6.775 -10.864 1.00 72.44 H new ATOM 0 HD2 LYS A 106 -6.968 8.206 -12.199 1.00 13.12 H new ATOM 0 HD3 LYS A 106 -5.668 7.047 -12.003 1.00 13.12 H new ATOM 0 HE2 LYS A 106 -6.767 6.798 -14.203 1.00 1.52 H new ATOM 0 HE3 LYS A 106 -6.934 5.344 -13.240 1.00 1.52 H new ATOM 0 HZ1 LYS A 106 -8.991 6.095 -14.398 1.00 74.20 H new ATOM 0 HZ2 LYS A 106 -9.171 5.883 -12.723 1.00 74.20 H new ATOM 0 HZ3 LYS A 106 -9.030 7.446 -13.370 1.00 74.20 H new ATOM 1650 N LYS A 107 -8.305 4.599 -8.450 1.00 14.11 N ATOM 1651 CA LYS A 107 -8.275 3.154 -8.264 1.00 21.04 C ATOM 1652 C LYS A 107 -7.035 2.541 -8.915 1.00 63.24 C ATOM 1653 O LYS A 107 -6.514 3.048 -9.914 1.00 64.22 O ATOM 1654 CB LYS A 107 -9.556 2.515 -8.827 1.00 43.23 C ATOM 1655 CG LYS A 107 -9.681 1.014 -8.556 1.00 53.20 C ATOM 1656 CD LYS A 107 -9.703 0.691 -7.059 1.00 2.13 C ATOM 1657 CE LYS A 107 -10.943 1.247 -6.361 1.00 0.22 C ATOM 1658 NZ LYS A 107 -12.198 0.593 -6.828 1.00 35.11 N ATOM 0 H LYS A 107 -9.138 4.937 -8.932 1.00 14.11 H new ATOM 0 HA LYS A 107 -8.226 2.950 -7.194 1.00 21.04 H new ATOM 0 HB2 LYS A 107 -10.420 3.023 -8.399 1.00 43.23 H new ATOM 0 HB3 LYS A 107 -9.589 2.682 -9.904 1.00 43.23 H new ATOM 0 HG2 LYS A 107 -10.593 0.639 -9.019 1.00 53.20 H new ATOM 0 HG3 LYS A 107 -8.847 0.492 -9.025 1.00 53.20 H new ATOM 0 HD2 LYS A 107 -9.667 -0.390 -6.923 1.00 2.13 H new ATOM 0 HD3 LYS A 107 -8.810 1.102 -6.588 1.00 2.13 H new ATOM 0 HE2 LYS A 107 -10.843 1.109 -5.284 1.00 0.22 H new ATOM 0 HE3 LYS A 107 -11.007 2.320 -6.540 1.00 0.22 H new ATOM 0 HZ1 LYS A 107 -12.996 0.917 -6.245 1.00 35.11 H new ATOM 0 HZ2 LYS A 107 -12.371 0.844 -7.822 1.00 35.11 H new ATOM 0 HZ3 LYS A 107 -12.104 -0.439 -6.743 1.00 35.11 H new ATOM 1672 N LEU A 108 -6.593 1.437 -8.340 1.00 5.41 N ATOM 1673 CA LEU A 108 -5.320 0.828 -8.671 1.00 52.52 C ATOM 1674 C LEU A 108 -5.316 -0.613 -8.176 1.00 14.10 C ATOM 1675 O LEU A 108 -6.215 -1.025 -7.439 1.00 4.42 O ATOM 1676 CB LEU A 108 -4.131 1.612 -8.103 1.00 74.01 C ATOM 1677 CG LEU A 108 -2.930 1.743 -9.057 1.00 20.04 C ATOM 1678 CD1 LEU A 108 -3.040 3.007 -9.906 1.00 41.21 C ATOM 1679 CD2 LEU A 108 -1.611 1.700 -8.292 1.00 64.14 C ATOM 0 H LEU A 108 -7.115 0.934 -7.622 1.00 5.41 H new ATOM 0 HA LEU A 108 -5.202 0.845 -9.755 1.00 52.52 H new ATOM 0 HB2 LEU A 108 -4.470 2.611 -7.829 1.00 74.01 H new ATOM 0 HB3 LEU A 108 -3.798 1.126 -7.186 1.00 74.01 H new ATOM 0 HG LEU A 108 -2.945 0.888 -9.733 1.00 20.04 H new ATOM 0 HD11 LEU A 108 -2.179 3.075 -10.571 1.00 41.21 H new ATOM 0 HD12 LEU A 108 -3.954 2.969 -10.499 1.00 41.21 H new ATOM 0 HD13 LEU A 108 -3.066 3.881 -9.255 1.00 41.21 H new ATOM 0 HD21 LEU A 108 -0.781 1.795 -8.992 1.00 64.14 H new ATOM 0 HD22 LEU A 108 -1.578 2.522 -7.577 1.00 64.14 H new ATOM 0 HD23 LEU A 108 -1.530 0.752 -7.759 1.00 64.14 H new ATOM 1691 N SER A 109 -4.322 -1.371 -8.601 1.00 1.20 N ATOM 1692 CA SER A 109 -4.306 -2.819 -8.448 1.00 24.45 C ATOM 1693 C SER A 109 -4.122 -3.250 -6.985 1.00 11.35 C ATOM 1694 O SER A 109 -3.816 -2.443 -6.116 1.00 52.34 O ATOM 1695 CB SER A 109 -3.122 -3.343 -9.266 1.00 63.15 C ATOM 1696 OG SER A 109 -3.455 -3.478 -10.638 1.00 1.10 O ATOM 0 H SER A 109 -3.495 -0.998 -9.067 1.00 1.20 H new ATOM 0 HA SER A 109 -5.261 -3.221 -8.787 1.00 24.45 H new ATOM 0 HB2 SER A 109 -2.277 -2.663 -9.161 1.00 63.15 H new ATOM 0 HB3 SER A 109 -2.805 -4.308 -8.871 1.00 63.15 H new ATOM 0 HG SER A 109 -2.647 -3.373 -11.183 1.00 1.10 H new ATOM 1702 N GLN A 110 -4.350 -4.539 -6.726 1.00 62.45 N ATOM 1703 CA GLN A 110 -4.277 -5.090 -5.375 1.00 42.01 C ATOM 1704 C GLN A 110 -3.407 -6.349 -5.371 1.00 20.21 C ATOM 1705 O GLN A 110 -3.723 -7.332 -6.046 1.00 40.30 O ATOM 1706 CB GLN A 110 -5.694 -5.421 -4.870 1.00 70.53 C ATOM 1707 CG GLN A 110 -5.748 -5.943 -3.434 1.00 43.14 C ATOM 1708 CD GLN A 110 -7.120 -6.489 -3.053 1.00 64.44 C ATOM 1709 OE1 GLN A 110 -7.841 -7.034 -3.891 1.00 33.45 O ATOM 1710 NE2 GLN A 110 -7.495 -6.345 -1.789 1.00 3.42 N ATOM 0 H GLN A 110 -4.589 -5.225 -7.442 1.00 62.45 H new ATOM 0 HA GLN A 110 -3.828 -4.352 -4.711 1.00 42.01 H new ATOM 0 HB2 GLN A 110 -6.310 -4.525 -4.941 1.00 70.53 H new ATOM 0 HB3 GLN A 110 -6.137 -6.166 -5.531 1.00 70.53 H new ATOM 0 HG2 GLN A 110 -5.003 -6.728 -3.310 1.00 43.14 H new ATOM 0 HG3 GLN A 110 -5.480 -5.138 -2.750 1.00 43.14 H new ATOM 0 HE21 GLN A 110 -6.873 -5.889 -1.121 1.00 3.42 H new ATOM 0 HE22 GLN A 110 -8.405 -6.690 -1.485 1.00 3.42 H new ATOM 1719 N VAL A 111 -2.315 -6.304 -4.616 1.00 74.43 N ATOM 1720 CA VAL A 111 -1.404 -7.437 -4.492 1.00 55.22 C ATOM 1721 C VAL A 111 -1.872 -8.374 -3.379 1.00 64.01 C ATOM 1722 O VAL A 111 -1.984 -7.972 -2.219 1.00 3.44 O ATOM 1723 CB VAL A 111 0.046 -6.969 -4.195 1.00 4.04 C ATOM 1724 CG1 VAL A 111 0.999 -8.160 -4.103 1.00 32.35 C ATOM 1725 CG2 VAL A 111 0.521 -5.970 -5.251 1.00 3.51 C ATOM 0 H VAL A 111 -2.037 -5.485 -4.075 1.00 74.43 H new ATOM 0 HA VAL A 111 -1.408 -7.967 -5.444 1.00 55.22 H new ATOM 0 HB VAL A 111 0.046 -6.466 -3.228 1.00 4.04 H new ATOM 0 HG11 VAL A 111 2.008 -7.804 -3.894 1.00 32.35 H new ATOM 0 HG12 VAL A 111 0.676 -8.824 -3.301 1.00 32.35 H new ATOM 0 HG13 VAL A 111 0.994 -8.703 -5.048 1.00 32.35 H new ATOM 0 HG21 VAL A 111 1.539 -5.656 -5.023 1.00 3.51 H new ATOM 0 HG22 VAL A 111 0.498 -6.441 -6.234 1.00 3.51 H new ATOM 0 HG23 VAL A 111 -0.136 -5.100 -5.250 1.00 3.51 H new ATOM 1735 N ILE A 112 -2.163 -9.615 -3.742 1.00 33.44 N ATOM 1736 CA ILE A 112 -2.609 -10.625 -2.787 1.00 4.50 C ATOM 1737 C ILE A 112 -1.446 -11.539 -2.404 1.00 74.34 C ATOM 1738 O ILE A 112 -1.058 -12.422 -3.176 1.00 45.45 O ATOM 1739 CB ILE A 112 -3.769 -11.481 -3.366 1.00 52.22 C ATOM 1740 CG1 ILE A 112 -4.953 -10.584 -3.780 1.00 72.13 C ATOM 1741 CG2 ILE A 112 -4.221 -12.541 -2.358 1.00 33.41 C ATOM 1742 CD1 ILE A 112 -5.568 -9.802 -2.638 1.00 50.45 C ATOM 0 H ILE A 112 -2.098 -9.951 -4.703 1.00 33.44 H new ATOM 0 HA ILE A 112 -2.974 -10.104 -1.902 1.00 4.50 H new ATOM 0 HB ILE A 112 -3.400 -11.994 -4.254 1.00 52.22 H new ATOM 0 HG12 ILE A 112 -4.614 -9.884 -4.544 1.00 72.13 H new ATOM 0 HG13 ILE A 112 -5.723 -11.206 -4.236 1.00 72.13 H new ATOM 0 HG21 ILE A 112 -5.034 -13.127 -2.786 1.00 33.41 H new ATOM 0 HG22 ILE A 112 -3.384 -13.199 -2.122 1.00 33.41 H new ATOM 0 HG23 ILE A 112 -4.567 -12.053 -1.447 1.00 33.41 H new ATOM 0 HD11 ILE A 112 -6.393 -9.197 -3.014 1.00 50.45 H new ATOM 0 HD12 ILE A 112 -5.940 -10.494 -1.882 1.00 50.45 H new ATOM 0 HD13 ILE A 112 -4.814 -9.152 -2.195 1.00 50.45 H new ATOM 1754 N GLY A 113 -0.885 -11.313 -1.225 1.00 34.23 N ATOM 1755 CA GLY A 113 0.233 -12.112 -0.757 1.00 24.11 C ATOM 1756 C GLY A 113 1.538 -11.344 -0.787 1.00 24.40 C ATOM 1757 O GLY A 113 1.629 -10.281 -1.410 1.00 12.05 O ATOM 0 H GLY A 113 -1.186 -10.584 -0.578 1.00 34.23 H new ATOM 0 HA2 GLY A 113 0.035 -12.449 0.260 1.00 24.11 H new ATOM 0 HA3 GLY A 113 0.324 -13.004 -1.377 1.00 24.11 H new ATOM 1761 N ALA A 114 2.550 -11.887 -0.121 1.00 24.33 N ATOM 1762 CA ALA A 114 3.852 -11.236 -0.029 1.00 64.12 C ATOM 1763 C ALA A 114 4.680 -11.480 -1.291 1.00 11.14 C ATOM 1764 O ALA A 114 5.641 -12.250 -1.277 1.00 11.51 O ATOM 1765 CB ALA A 114 4.595 -11.730 1.212 1.00 12.03 C ATOM 0 H ALA A 114 2.494 -12.781 0.366 1.00 24.33 H new ATOM 0 HA ALA A 114 3.696 -10.161 0.060 1.00 64.12 H new ATOM 0 HB1 ALA A 114 5.566 -11.239 1.274 1.00 12.03 H new ATOM 0 HB2 ALA A 114 4.012 -11.495 2.103 1.00 12.03 H new ATOM 0 HB3 ALA A 114 4.737 -12.809 1.146 1.00 12.03 H new ATOM 1771 N ASP A 115 4.289 -10.831 -2.387 1.00 3.33 N ATOM 1772 CA ASP A 115 5.003 -10.961 -3.659 1.00 64.02 C ATOM 1773 C ASP A 115 5.687 -9.642 -4.017 1.00 63.14 C ATOM 1774 O ASP A 115 5.087 -8.751 -4.635 1.00 33.00 O ATOM 1775 CB ASP A 115 4.043 -11.394 -4.781 1.00 53.31 C ATOM 1776 CG ASP A 115 4.736 -11.657 -6.118 1.00 32.13 C ATOM 1777 OD1 ASP A 115 5.985 -11.612 -6.184 1.00 54.12 O ATOM 1778 OD2 ASP A 115 4.024 -11.912 -7.116 1.00 13.04 O ATOM 0 H ASP A 115 3.481 -10.209 -2.421 1.00 3.33 H new ATOM 0 HA ASP A 115 5.766 -11.732 -3.550 1.00 64.02 H new ATOM 0 HB2 ASP A 115 3.519 -12.298 -4.470 1.00 53.31 H new ATOM 0 HB3 ASP A 115 3.288 -10.620 -4.920 1.00 53.31 H new ATOM 1783 N ILE A 116 6.950 -9.528 -3.611 1.00 11.50 N ATOM 1784 CA ILE A 116 7.730 -8.310 -3.815 1.00 73.42 C ATOM 1785 C ILE A 116 7.824 -7.987 -5.312 1.00 53.15 C ATOM 1786 O ILE A 116 7.785 -6.821 -5.708 1.00 60.52 O ATOM 1787 CB ILE A 116 9.153 -8.455 -3.179 1.00 33.01 C ATOM 1788 CG1 ILE A 116 9.746 -7.083 -2.774 1.00 3.23 C ATOM 1789 CG2 ILE A 116 10.108 -9.203 -4.110 1.00 75.54 C ATOM 1790 CD1 ILE A 116 10.132 -6.178 -3.926 1.00 74.15 C ATOM 0 H ILE A 116 7.459 -10.273 -3.134 1.00 11.50 H new ATOM 0 HA ILE A 116 7.225 -7.482 -3.318 1.00 73.42 H new ATOM 0 HB ILE A 116 9.034 -9.045 -2.270 1.00 33.01 H new ATOM 0 HG12 ILE A 116 9.019 -6.561 -2.152 1.00 3.23 H new ATOM 0 HG13 ILE A 116 10.628 -7.255 -2.157 1.00 3.23 H new ATOM 0 HG21 ILE A 116 11.087 -9.286 -3.637 1.00 75.54 H new ATOM 0 HG22 ILE A 116 9.716 -10.200 -4.309 1.00 75.54 H new ATOM 0 HG23 ILE A 116 10.203 -8.657 -5.048 1.00 75.54 H new ATOM 0 HD11 ILE A 116 10.536 -5.244 -3.535 1.00 74.15 H new ATOM 0 HD12 ILE A 116 10.886 -6.671 -4.539 1.00 74.15 H new ATOM 0 HD13 ILE A 116 9.252 -5.967 -4.533 1.00 74.15 H new ATOM 1802 N SER A 117 7.897 -9.032 -6.134 1.00 75.22 N ATOM 1803 CA SER A 117 8.003 -8.870 -7.578 1.00 20.34 C ATOM 1804 C SER A 117 6.760 -8.173 -8.119 1.00 72.23 C ATOM 1805 O SER A 117 6.854 -7.225 -8.905 1.00 71.42 O ATOM 1806 CB SER A 117 8.187 -10.236 -8.254 1.00 12.23 C ATOM 1807 OG SER A 117 8.175 -10.121 -9.667 1.00 60.33 O ATOM 0 H SER A 117 7.884 -10.003 -5.821 1.00 75.22 H new ATOM 0 HA SER A 117 8.874 -8.254 -7.800 1.00 20.34 H new ATOM 0 HB2 SER A 117 9.129 -10.679 -7.932 1.00 12.23 H new ATOM 0 HB3 SER A 117 7.392 -10.911 -7.936 1.00 12.23 H new ATOM 0 HG SER A 117 8.296 -11.007 -10.068 1.00 60.33 H new ATOM 1813 N LYS A 118 5.597 -8.634 -7.673 1.00 51.44 N ATOM 1814 CA LYS A 118 4.332 -8.072 -8.117 1.00 61.23 C ATOM 1815 C LYS A 118 4.211 -6.630 -7.646 1.00 43.02 C ATOM 1816 O LYS A 118 3.792 -5.748 -8.403 1.00 3.44 O ATOM 1817 CB LYS A 118 3.160 -8.900 -7.580 1.00 13.14 C ATOM 1818 CG LYS A 118 1.831 -8.609 -8.269 1.00 22.23 C ATOM 1819 CD LYS A 118 1.860 -8.966 -9.760 1.00 74.10 C ATOM 1820 CE LYS A 118 1.908 -10.477 -10.011 1.00 71.30 C ATOM 1821 NZ LYS A 118 3.204 -11.099 -9.610 1.00 73.53 N ATOM 0 H LYS A 118 5.507 -9.397 -7.003 1.00 51.44 H new ATOM 0 HA LYS A 118 4.303 -8.095 -9.206 1.00 61.23 H new ATOM 0 HB2 LYS A 118 3.393 -9.959 -7.694 1.00 13.14 H new ATOM 0 HB3 LYS A 118 3.053 -8.711 -6.512 1.00 13.14 H new ATOM 0 HG2 LYS A 118 1.038 -9.173 -7.778 1.00 22.23 H new ATOM 0 HG3 LYS A 118 1.588 -7.552 -8.155 1.00 22.23 H new ATOM 0 HD2 LYS A 118 0.977 -8.550 -10.245 1.00 74.10 H new ATOM 0 HD3 LYS A 118 2.728 -8.498 -10.224 1.00 74.10 H new ATOM 0 HE2 LYS A 118 1.097 -10.956 -9.462 1.00 71.30 H new ATOM 0 HE3 LYS A 118 1.733 -10.669 -11.070 1.00 71.30 H new ATOM 0 HZ1 LYS A 118 3.471 -11.824 -10.306 1.00 73.53 H new ATOM 0 HZ2 LYS A 118 3.942 -10.368 -9.570 1.00 73.53 H new ATOM 0 HZ3 LYS A 118 3.103 -11.540 -8.673 1.00 73.53 H new ATOM 1835 N ILE A 119 4.598 -6.404 -6.393 1.00 43.05 N ATOM 1836 CA ILE A 119 4.542 -5.076 -5.797 1.00 41.14 C ATOM 1837 C ILE A 119 5.354 -4.069 -6.617 1.00 30.10 C ATOM 1838 O ILE A 119 4.816 -3.061 -7.083 1.00 63.44 O ATOM 1839 CB ILE A 119 5.049 -5.108 -4.329 1.00 70.30 C ATOM 1840 CG1 ILE A 119 4.121 -5.991 -3.472 1.00 71.14 C ATOM 1841 CG2 ILE A 119 5.142 -3.697 -3.748 1.00 34.11 C ATOM 1842 CD1 ILE A 119 4.551 -6.129 -2.027 1.00 70.24 C ATOM 0 H ILE A 119 4.955 -7.128 -5.770 1.00 43.05 H new ATOM 0 HA ILE A 119 3.500 -4.756 -5.798 1.00 41.14 H new ATOM 0 HB ILE A 119 6.051 -5.536 -4.319 1.00 70.30 H new ATOM 0 HG12 ILE A 119 3.114 -5.574 -3.501 1.00 71.14 H new ATOM 0 HG13 ILE A 119 4.068 -6.984 -3.919 1.00 71.14 H new ATOM 0 HG21 ILE A 119 5.499 -3.750 -2.720 1.00 34.11 H new ATOM 0 HG22 ILE A 119 5.836 -3.103 -4.343 1.00 34.11 H new ATOM 0 HG23 ILE A 119 4.157 -3.230 -3.766 1.00 34.11 H new ATOM 0 HD11 ILE A 119 3.843 -6.766 -1.496 1.00 70.24 H new ATOM 0 HD12 ILE A 119 5.544 -6.576 -1.984 1.00 70.24 H new ATOM 0 HD13 ILE A 119 4.575 -5.145 -1.559 1.00 70.24 H new ATOM 1854 N ILE A 120 6.638 -4.358 -6.830 1.00 4.05 N ATOM 1855 CA ILE A 120 7.506 -3.440 -7.567 1.00 34.43 C ATOM 1856 C ILE A 120 7.053 -3.316 -9.025 1.00 71.55 C ATOM 1857 O ILE A 120 7.133 -2.231 -9.620 1.00 40.01 O ATOM 1858 CB ILE A 120 9.000 -3.861 -7.512 1.00 74.22 C ATOM 1859 CG1 ILE A 120 9.885 -2.809 -8.212 1.00 42.53 C ATOM 1860 CG2 ILE A 120 9.209 -5.243 -8.130 1.00 33.53 C ATOM 1861 CD1 ILE A 120 11.370 -3.117 -8.169 1.00 14.11 C ATOM 0 H ILE A 120 7.096 -5.210 -6.507 1.00 4.05 H new ATOM 0 HA ILE A 120 7.420 -2.470 -7.078 1.00 34.43 H new ATOM 0 HB ILE A 120 9.295 -3.918 -6.464 1.00 74.22 H new ATOM 0 HG12 ILE A 120 9.573 -2.723 -9.253 1.00 42.53 H new ATOM 0 HG13 ILE A 120 9.713 -1.838 -7.747 1.00 42.53 H new ATOM 0 HG21 ILE A 120 10.265 -5.510 -8.077 1.00 33.53 H new ATOM 0 HG22 ILE A 120 8.621 -5.979 -7.582 1.00 33.53 H new ATOM 0 HG23 ILE A 120 8.891 -5.227 -9.172 1.00 33.53 H new ATOM 0 HD11 ILE A 120 11.920 -2.329 -8.683 1.00 14.11 H new ATOM 0 HD12 ILE A 120 11.700 -3.173 -7.132 1.00 14.11 H new ATOM 0 HD13 ILE A 120 11.558 -4.071 -8.661 1.00 14.11 H new ATOM 1873 N SER A 121 6.559 -4.424 -9.583 1.00 12.34 N ATOM 1874 CA SER A 121 6.064 -4.444 -10.957 1.00 13.32 C ATOM 1875 C SER A 121 4.969 -3.397 -11.133 1.00 32.33 C ATOM 1876 O SER A 121 5.046 -2.547 -12.019 1.00 34.24 O ATOM 1877 CB SER A 121 5.532 -5.841 -11.321 1.00 75.32 C ATOM 1878 OG SER A 121 5.104 -5.905 -12.672 1.00 44.34 O ATOM 0 H SER A 121 6.492 -5.320 -9.101 1.00 12.34 H new ATOM 0 HA SER A 121 6.890 -4.207 -11.628 1.00 13.32 H new ATOM 0 HB2 SER A 121 6.312 -6.583 -11.151 1.00 75.32 H new ATOM 0 HB3 SER A 121 4.701 -6.096 -10.664 1.00 75.32 H new ATOM 0 HG SER A 121 4.774 -6.807 -12.868 1.00 44.34 H new ATOM 1884 N GLU A 122 3.972 -3.437 -10.254 1.00 5.15 N ATOM 1885 CA GLU A 122 2.856 -2.508 -10.326 1.00 65.30 C ATOM 1886 C GLU A 122 3.282 -1.093 -9.948 1.00 44.15 C ATOM 1887 O GLU A 122 2.733 -0.123 -10.472 1.00 62.34 O ATOM 1888 CB GLU A 122 1.690 -2.981 -9.450 1.00 61.44 C ATOM 1889 CG GLU A 122 0.889 -4.116 -10.075 1.00 20.42 C ATOM 1890 CD GLU A 122 0.346 -3.746 -11.451 1.00 24.43 C ATOM 1891 OE1 GLU A 122 -0.702 -3.069 -11.527 1.00 35.12 O ATOM 1892 OE2 GLU A 122 0.970 -4.118 -12.465 1.00 55.33 O ATOM 0 H GLU A 122 3.917 -4.104 -9.484 1.00 5.15 H new ATOM 0 HA GLU A 122 2.515 -2.484 -11.361 1.00 65.30 H new ATOM 0 HB2 GLU A 122 2.079 -3.308 -8.485 1.00 61.44 H new ATOM 0 HB3 GLU A 122 1.025 -2.139 -9.257 1.00 61.44 H new ATOM 0 HG2 GLU A 122 1.521 -5.000 -10.161 1.00 20.42 H new ATOM 0 HG3 GLU A 122 0.060 -4.379 -9.418 1.00 20.42 H new ATOM 1899 N ILE A 123 4.259 -0.967 -9.050 1.00 64.44 N ATOM 1900 CA ILE A 123 4.784 0.351 -8.699 1.00 23.22 C ATOM 1901 C ILE A 123 5.301 1.065 -9.950 1.00 61.22 C ATOM 1902 O ILE A 123 4.819 2.146 -10.305 1.00 52.41 O ATOM 1903 CB ILE A 123 5.923 0.265 -7.645 1.00 24.53 C ATOM 1904 CG1 ILE A 123 5.368 -0.172 -6.278 1.00 70.55 C ATOM 1905 CG2 ILE A 123 6.665 1.599 -7.521 1.00 11.32 C ATOM 1906 CD1 ILE A 123 6.427 -0.323 -5.202 1.00 11.40 C ATOM 0 H ILE A 123 4.696 -1.747 -8.560 1.00 64.44 H new ATOM 0 HA ILE A 123 3.962 0.918 -8.261 1.00 23.22 H new ATOM 0 HB ILE A 123 6.635 -0.486 -7.986 1.00 24.53 H new ATOM 0 HG12 ILE A 123 4.630 0.558 -5.947 1.00 70.55 H new ATOM 0 HG13 ILE A 123 4.846 -1.122 -6.396 1.00 70.55 H new ATOM 0 HG21 ILE A 123 7.456 1.508 -6.776 1.00 11.32 H new ATOM 0 HG22 ILE A 123 7.102 1.863 -8.484 1.00 11.32 H new ATOM 0 HG23 ILE A 123 5.966 2.377 -7.214 1.00 11.32 H new ATOM 0 HD11 ILE A 123 5.956 -0.633 -4.269 1.00 11.40 H new ATOM 0 HD12 ILE A 123 7.153 -1.075 -5.509 1.00 11.40 H new ATOM 0 HD13 ILE A 123 6.933 0.631 -5.053 1.00 11.40 H new ATOM 1918 N ASN A 124 6.234 0.425 -10.659 1.00 62.31 N ATOM 1919 CA ASN A 124 6.836 1.048 -11.839 1.00 70.40 C ATOM 1920 C ASN A 124 5.814 1.134 -12.969 1.00 63.44 C ATOM 1921 O ASN A 124 5.830 2.079 -13.758 1.00 60.41 O ATOM 1922 CB ASN A 124 8.100 0.300 -12.312 1.00 74.25 C ATOM 1923 CG ASN A 124 7.812 -1.034 -12.985 1.00 3.00 C ATOM 1924 OD1 ASN A 124 7.499 -1.086 -14.175 1.00 2.22 O ATOM 1925 ND2 ASN A 124 7.948 -2.123 -12.244 1.00 31.11 N ATOM 0 H ASN A 124 6.584 -0.508 -10.442 1.00 62.31 H new ATOM 0 HA ASN A 124 7.144 2.054 -11.555 1.00 70.40 H new ATOM 0 HB2 ASN A 124 8.647 0.936 -13.008 1.00 74.25 H new ATOM 0 HB3 ASN A 124 8.752 0.130 -11.455 1.00 74.25 H new ATOM 0 HD21 ASN A 124 7.792 -3.043 -12.656 1.00 31.11 H new ATOM 0 HD22 ASN A 124 8.209 -2.042 -11.261 1.00 31.11 H new ATOM 1932 N ASN A 125 4.920 0.150 -13.027 1.00 1.13 N ATOM 1933 CA ASN A 125 3.871 0.103 -14.047 1.00 32.31 C ATOM 1934 C ASN A 125 2.938 1.307 -13.934 1.00 11.14 C ATOM 1935 O ASN A 125 2.672 2.000 -14.918 1.00 62.21 O ATOM 1936 CB ASN A 125 3.059 -1.199 -13.914 1.00 54.41 C ATOM 1937 CG ASN A 125 1.880 -1.282 -14.877 1.00 64.43 C ATOM 1938 OD1 ASN A 125 1.908 -0.719 -15.971 1.00 44.20 O ATOM 1939 ND2 ASN A 125 0.832 -1.993 -14.479 1.00 63.11 N ATOM 0 H ASN A 125 4.900 -0.633 -12.374 1.00 1.13 H new ATOM 0 HA ASN A 125 4.352 0.131 -15.025 1.00 32.31 H new ATOM 0 HB2 ASN A 125 3.719 -2.049 -14.087 1.00 54.41 H new ATOM 0 HB3 ASN A 125 2.690 -1.285 -12.892 1.00 54.41 H new ATOM 0 HD21 ASN A 125 0.018 -2.085 -15.086 1.00 63.11 H new ATOM 0 HD22 ASN A 125 0.841 -2.447 -13.566 1.00 63.11 H new ATOM 1946 N ASN A 126 2.458 1.564 -12.723 1.00 54.43 N ATOM 1947 CA ASN A 126 1.437 2.587 -12.508 1.00 30.24 C ATOM 1948 C ASN A 126 2.043 3.973 -12.301 1.00 40.20 C ATOM 1949 O ASN A 126 1.344 4.980 -12.457 1.00 14.42 O ATOM 1950 CB ASN A 126 0.526 2.212 -11.331 1.00 73.22 C ATOM 1951 CG ASN A 126 -0.387 1.036 -11.655 1.00 45.23 C ATOM 1952 OD1 ASN A 126 -1.483 1.220 -12.185 1.00 64.34 O ATOM 1953 ND2 ASN A 126 0.050 -0.174 -11.335 1.00 22.22 N ATOM 0 H ASN A 126 2.757 1.081 -11.876 1.00 54.43 H new ATOM 0 HA ASN A 126 0.834 2.631 -13.415 1.00 30.24 H new ATOM 0 HB2 ASN A 126 1.140 1.964 -10.465 1.00 73.22 H new ATOM 0 HB3 ASN A 126 -0.081 3.075 -11.056 1.00 73.22 H new ATOM 0 HD21 ASN A 126 -0.528 -0.992 -11.527 1.00 22.22 H new ATOM 0 HD22 ASN A 126 0.964 -0.287 -10.897 1.00 22.22 H new ATOM 1960 N ILE A 127 3.323 4.037 -11.929 1.00 14.23 N ATOM 1961 CA ILE A 127 4.022 5.324 -11.858 1.00 72.24 C ATOM 1962 C ILE A 127 4.440 5.788 -13.255 1.00 51.15 C ATOM 1963 O ILE A 127 4.132 6.909 -13.664 1.00 43.15 O ATOM 1964 CB ILE A 127 5.274 5.269 -10.941 1.00 30.40 C ATOM 1965 CG1 ILE A 127 4.855 5.084 -9.473 1.00 71.24 C ATOM 1966 CG2 ILE A 127 6.135 6.528 -11.103 1.00 3.34 C ATOM 1967 CD1 ILE A 127 6.019 5.050 -8.506 1.00 62.32 C ATOM 0 H ILE A 127 3.890 3.228 -11.676 1.00 14.23 H new ATOM 0 HA ILE A 127 3.319 6.036 -11.425 1.00 72.24 H new ATOM 0 HB ILE A 127 5.877 4.412 -11.242 1.00 30.40 H new ATOM 0 HG12 ILE A 127 4.184 5.895 -9.191 1.00 71.24 H new ATOM 0 HG13 ILE A 127 4.290 4.156 -9.380 1.00 71.24 H new ATOM 0 HG21 ILE A 127 7.004 6.461 -10.449 1.00 3.34 H new ATOM 0 HG22 ILE A 127 6.466 6.612 -12.138 1.00 3.34 H new ATOM 0 HG23 ILE A 127 5.548 7.407 -10.837 1.00 3.34 H new ATOM 0 HD11 ILE A 127 5.645 4.917 -7.491 1.00 62.32 H new ATOM 0 HD12 ILE A 127 6.680 4.221 -8.761 1.00 62.32 H new ATOM 0 HD13 ILE A 127 6.572 5.987 -8.569 1.00 62.32 H new ATOM 1979 N ASN A 128 5.136 4.917 -13.983 1.00 62.14 N ATOM 1980 CA ASN A 128 5.645 5.255 -15.313 1.00 42.51 C ATOM 1981 C ASN A 128 4.684 4.755 -16.391 1.00 70.20 C ATOM 1982 O ASN A 128 3.717 5.476 -16.708 1.00 45.52 O ATOM 1983 CB ASN A 128 7.052 4.664 -15.530 1.00 25.33 C ATOM 1984 CG ASN A 128 8.089 5.236 -14.580 1.00 5.54 C ATOM 1985 OD1 ASN A 128 8.717 6.257 -14.863 1.00 50.24 O ATOM 1986 ND2 ASN A 128 8.287 4.572 -13.450 1.00 20.11 N ATOM 1987 OXT ASN A 128 4.891 3.643 -16.916 1.00 0.00 O ATOM 0 H ASN A 128 5.361 3.971 -13.675 1.00 62.14 H new ATOM 0 HA ASN A 128 5.719 6.340 -15.385 1.00 42.51 H new ATOM 0 HB2 ASN A 128 7.009 3.582 -15.404 1.00 25.33 H new ATOM 0 HB3 ASN A 128 7.365 4.853 -16.557 1.00 25.33 H new ATOM 0 HD21 ASN A 128 8.980 4.903 -12.779 1.00 20.11 H new ATOM 0 HD22 ASN A 128 7.746 3.730 -13.252 1.00 20.11 H new TER 1994 ASN A 128