USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 956 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 68 TYR OH : rot 180:sc= -0.0281 USER MOD Set 1.2: A 71 ASN : amide:sc= 0 K(o=-0.028,f=-0.58) USER MOD Set 2.1: A 54 SER OG : rot 160:sc= 0.0738 USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.0247 K(o=0.099,f=-1) USER MOD Set 3.1: A 20 TYR OH : rot 18:sc= 0.0056 USER MOD Set 3.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 7 HIS : no HD1:sc= 0.549 K(o=1.2,f=-5!) USER MOD Set 4.2: A 9 SER OG : rot -30:sc= 0.618 USER MOD Single : A 1 MET CE :methyl -154:sc= -0.251 (180deg=-1.05) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0653 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.63) USER MOD Single : A 4 HIS : no HE2:sc= -0.033 X(o=-0.033,f=-0.023) USER MOD Single : A 5 HIS : no HE2:sc= -0.404 K(o=-0.4,f=-2.9!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.514 K(o=-0.51,f=-1.6) USER MOD Single : A 10 HIS : no HE2:sc= 0.052 X(o=0.052,f=-0.25) USER MOD Single : A 11 MET CE :methyl 165:sc= -0.436 (180deg=-0.838) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 17 GLN : amide:sc= 0.334 K(o=0.33,f=-1) USER MOD Single : A 21 HIS : no HD1:sc= 0.912 K(o=0.91,f=-3.9!) USER MOD Single : A 30 GLN : amide:sc= 0.282 X(o=0.28,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 154:sc= -2.89! (180deg=-5.04!) USER MOD Single : A 35 LYS NZ :NH3+ -106:sc= 0.295 (180deg=-0.0372) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 82:sc= 0.357 USER MOD Single : A 45 HIS : no HD1:sc= 0.374 K(o=0.37,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ -109:sc= 0.973 (180deg=-0.92) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.883 K(o=0.88,f=-8.1!) USER MOD Single : A 67 GLN : amide:sc= -0.747 K(o=-0.75,f=-2.5) USER MOD Single : A 72 MET CE :methyl -133:sc= -0.456 (180deg=-0.975) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.935 K(o=-0.93,f=-0.38) USER MOD Single : A 89 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.081) USER MOD Single : A 90 HIS : no HE2:sc= 0.0184 K(o=0.018,f=-2.8) USER MOD Single : A 91 TYR OH : rot 30:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 93 THR OG1 : rot -95:sc= 1.01 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.036 (180deg=-0.277) USER MOD Single : A 95 GLN : amide:sc= -2.97! C(o=-3!,f=-8.4!) USER MOD Single : A 98 THR OG1 : rot -113:sc= 1.04 USER MOD Single : A 99 LYS NZ :NH3+ 144:sc= -0.127 (180deg=-1.33) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 80:sc= -0.904 USER MOD Single : A 107 ASN : amide:sc= -1.77 K(o=-1.8,f=-0.94) USER MOD Single : A 111 LYS NZ :NH3+ -153:sc= -2.96 (180deg=-4.67!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 167:sc= -0.0182 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.834 -6.650 -29.852 1.00 63.03 N ATOM 2 CA MET A 1 28.110 -6.644 -31.152 1.00 70.52 C ATOM 3 C MET A 1 26.595 -6.743 -30.944 1.00 2.14 C ATOM 4 O MET A 1 26.129 -7.195 -29.896 1.00 11.23 O ATOM 5 CB MET A 1 28.578 -7.811 -32.036 1.00 53.20 C ATOM 6 CG MET A 1 28.241 -9.189 -31.473 1.00 41.25 C ATOM 7 SD MET A 1 28.495 -10.513 -32.672 1.00 34.44 S ATOM 8 CE MET A 1 27.295 -10.067 -33.931 1.00 60.55 C ATOM 0 H1 MET A 1 29.225 -5.704 -29.668 1.00 63.03 H new ATOM 0 H2 MET A 1 28.175 -6.906 -29.089 1.00 63.03 H new ATOM 0 H3 MET A 1 29.608 -7.344 -29.889 1.00 63.03 H new ATOM 0 HA MET A 1 28.335 -5.700 -31.647 1.00 70.52 H new ATOM 0 HB2 MET A 1 28.124 -7.712 -33.022 1.00 53.20 H new ATOM 0 HB3 MET A 1 29.657 -7.740 -32.173 1.00 53.20 H new ATOM 0 HG2 MET A 1 28.857 -9.378 -30.594 1.00 41.25 H new ATOM 0 HG3 MET A 1 27.202 -9.198 -31.143 1.00 41.25 H new ATOM 0 HE1 MET A 1 26.992 -10.960 -34.477 1.00 60.55 H new ATOM 0 HE2 MET A 1 26.422 -9.617 -33.458 1.00 60.55 H new ATOM 0 HE3 MET A 1 27.742 -9.353 -34.623 1.00 60.55 H new ATOM 20 N GLY A 2 25.834 -6.283 -31.934 1.00 0.04 N ATOM 21 CA GLY A 2 24.386 -6.474 -31.937 1.00 24.14 C ATOM 22 C GLY A 2 23.611 -5.558 -30.989 1.00 60.30 C ATOM 23 O GLY A 2 22.395 -5.423 -31.131 1.00 4.11 O ATOM 0 H GLY A 2 26.195 -5.777 -32.743 1.00 0.04 H new ATOM 0 HA2 GLY A 2 24.016 -6.319 -32.951 1.00 24.14 H new ATOM 0 HA3 GLY A 2 24.171 -7.510 -31.674 1.00 24.14 H new ATOM 27 N HIS A 3 24.296 -4.933 -30.027 1.00 45.45 N ATOM 28 CA HIS A 3 23.628 -4.108 -29.004 1.00 2.24 C ATOM 29 C HIS A 3 22.579 -4.946 -28.238 1.00 0.55 C ATOM 30 O HIS A 3 21.558 -4.436 -27.774 1.00 73.02 O ATOM 31 CB HIS A 3 22.985 -2.869 -29.657 1.00 23.13 C ATOM 32 CG HIS A 3 22.359 -1.914 -28.681 1.00 14.31 C ATOM 33 ND1 HIS A 3 21.005 -1.663 -28.635 1.00 12.32 N ATOM 34 CD2 HIS A 3 22.911 -1.143 -27.716 1.00 31.33 C ATOM 35 CE1 HIS A 3 20.752 -0.789 -27.684 1.00 43.34 C ATOM 36 NE2 HIS A 3 21.890 -0.457 -27.111 1.00 14.12 N ATOM 0 H HIS A 3 25.310 -4.979 -29.931 1.00 45.45 H new ATOM 0 HA HIS A 3 24.371 -3.764 -28.285 1.00 2.24 H new ATOM 0 HB2 HIS A 3 23.745 -2.339 -30.230 1.00 23.13 H new ATOM 0 HB3 HIS A 3 22.224 -3.199 -30.365 1.00 23.13 H new ATOM 0 HD2 HIS A 3 23.960 -1.080 -27.468 1.00 31.33 H new ATOM 0 HE1 HIS A 3 19.777 -0.409 -27.419 1.00 43.34 H new ATOM 0 HE2 HIS A 3 21.995 0.204 -26.341 1.00 14.12 H new ATOM 45 N HIS A 4 22.870 -6.237 -28.089 1.00 71.33 N ATOM 46 CA HIS A 4 21.934 -7.204 -27.494 1.00 51.11 C ATOM 47 C HIS A 4 21.416 -6.775 -26.108 1.00 65.54 C ATOM 48 O HIS A 4 22.094 -6.063 -25.366 1.00 25.44 O ATOM 49 CB HIS A 4 22.606 -8.580 -27.398 1.00 4.43 C ATOM 50 CG HIS A 4 23.893 -8.577 -26.624 1.00 31.14 C ATOM 51 ND1 HIS A 4 25.134 -8.638 -27.225 1.00 52.34 N ATOM 52 CD2 HIS A 4 24.132 -8.522 -25.289 1.00 1.32 C ATOM 53 CE1 HIS A 4 26.074 -8.619 -26.299 1.00 2.50 C ATOM 54 NE2 HIS A 4 25.492 -8.548 -25.119 1.00 65.02 N ATOM 0 H HIS A 4 23.759 -6.647 -28.375 1.00 71.33 H new ATOM 0 HA HIS A 4 21.065 -7.250 -28.151 1.00 51.11 H new ATOM 0 HB2 HIS A 4 21.914 -9.280 -26.930 1.00 4.43 H new ATOM 0 HB3 HIS A 4 22.800 -8.950 -28.405 1.00 4.43 H new ATOM 0 HD1 HIS A 4 25.299 -8.690 -28.230 1.00 52.34 H new ATOM 0 HD2 HIS A 4 23.389 -8.468 -24.507 1.00 1.32 H new ATOM 0 HE1 HIS A 4 27.138 -8.655 -26.478 1.00 2.50 H new ATOM 63 N HIS A 5 20.212 -7.234 -25.773 1.00 73.30 N ATOM 64 CA HIS A 5 19.588 -6.944 -24.476 1.00 34.03 C ATOM 65 C HIS A 5 18.872 -8.188 -23.923 1.00 20.55 C ATOM 66 O HIS A 5 17.760 -8.518 -24.336 1.00 5.42 O ATOM 67 CB HIS A 5 18.612 -5.761 -24.598 1.00 21.44 C ATOM 68 CG HIS A 5 17.670 -5.855 -25.765 1.00 72.11 C ATOM 69 ND1 HIS A 5 16.590 -6.712 -25.804 1.00 33.42 N ATOM 70 CD2 HIS A 5 17.652 -5.185 -26.942 1.00 2.02 C ATOM 71 CE1 HIS A 5 15.955 -6.568 -26.948 1.00 64.12 C ATOM 72 NE2 HIS A 5 16.575 -5.649 -27.657 1.00 11.40 N ATOM 0 H HIS A 5 19.641 -7.815 -26.387 1.00 73.30 H new ATOM 0 HA HIS A 5 20.374 -6.668 -23.773 1.00 34.03 H new ATOM 0 HB2 HIS A 5 18.029 -5.690 -23.680 1.00 21.44 H new ATOM 0 HB3 HIS A 5 19.186 -4.838 -24.683 1.00 21.44 H new ATOM 0 HD1 HIS A 5 16.324 -7.358 -25.061 1.00 33.42 H new ATOM 0 HD2 HIS A 5 18.353 -4.427 -27.259 1.00 2.02 H new ATOM 0 HE1 HIS A 5 15.074 -7.112 -27.253 1.00 64.12 H new ATOM 81 N HIS A 6 19.518 -8.880 -22.984 1.00 52.22 N ATOM 82 CA HIS A 6 19.006 -10.156 -22.472 1.00 61.01 C ATOM 83 C HIS A 6 17.768 -9.978 -21.573 1.00 40.31 C ATOM 84 O HIS A 6 16.898 -10.849 -21.545 1.00 71.24 O ATOM 85 CB HIS A 6 20.113 -10.905 -21.716 1.00 3.21 C ATOM 86 CG HIS A 6 19.733 -12.303 -21.320 1.00 41.42 C ATOM 87 ND1 HIS A 6 19.868 -12.789 -20.039 1.00 53.33 N ATOM 88 CD2 HIS A 6 19.233 -13.327 -22.052 1.00 63.24 C ATOM 89 CE1 HIS A 6 19.467 -14.042 -19.997 1.00 30.24 C ATOM 90 NE2 HIS A 6 19.075 -14.397 -21.203 1.00 24.51 N ATOM 0 H HIS A 6 20.397 -8.580 -22.561 1.00 52.22 H new ATOM 0 HA HIS A 6 18.691 -10.745 -23.333 1.00 61.01 H new ATOM 0 HB2 HIS A 6 21.005 -10.943 -22.341 1.00 3.21 H new ATOM 0 HB3 HIS A 6 20.375 -10.341 -20.820 1.00 3.21 H new ATOM 0 HD2 HIS A 6 19.001 -13.307 -23.107 1.00 63.24 H new ATOM 0 HE1 HIS A 6 19.461 -14.673 -19.121 1.00 30.24 H new ATOM 0 HE2 HIS A 6 18.714 -15.314 -21.464 1.00 24.51 H new ATOM 99 N HIS A 7 17.683 -8.864 -20.841 1.00 23.10 N ATOM 100 CA HIS A 7 16.522 -8.608 -19.970 1.00 4.25 C ATOM 101 C HIS A 7 15.544 -7.605 -20.615 1.00 54.50 C ATOM 102 O HIS A 7 15.946 -6.539 -21.081 1.00 34.33 O ATOM 103 CB HIS A 7 16.970 -8.103 -18.583 1.00 15.44 C ATOM 104 CG HIS A 7 17.601 -6.740 -18.582 1.00 20.41 C ATOM 105 ND1 HIS A 7 16.890 -5.580 -18.349 1.00 23.43 N ATOM 106 CD2 HIS A 7 18.883 -6.350 -18.779 1.00 34.34 C ATOM 107 CE1 HIS A 7 17.702 -4.546 -18.405 1.00 4.12 C ATOM 108 NE2 HIS A 7 18.915 -4.983 -18.662 1.00 62.55 N ATOM 0 H HIS A 7 18.392 -8.131 -20.830 1.00 23.10 H new ATOM 0 HA HIS A 7 15.999 -9.555 -19.840 1.00 4.25 H new ATOM 0 HB2 HIS A 7 16.104 -8.088 -17.921 1.00 15.44 H new ATOM 0 HB3 HIS A 7 17.679 -8.817 -18.164 1.00 15.44 H new ATOM 0 HD2 HIS A 7 19.724 -6.995 -18.989 1.00 34.34 H new ATOM 0 HE1 HIS A 7 17.420 -3.513 -18.264 1.00 4.12 H new ATOM 0 HE2 HIS A 7 19.746 -4.400 -18.759 1.00 62.55 H new ATOM 117 N HIS A 8 14.259 -7.960 -20.646 1.00 64.43 N ATOM 118 CA HIS A 8 13.217 -7.068 -21.179 1.00 24.02 C ATOM 119 C HIS A 8 12.649 -6.172 -20.062 1.00 34.44 C ATOM 120 O HIS A 8 11.840 -5.277 -20.311 1.00 21.22 O ATOM 121 CB HIS A 8 12.093 -7.905 -21.813 1.00 74.20 C ATOM 122 CG HIS A 8 11.136 -7.117 -22.662 1.00 22.12 C ATOM 123 ND1 HIS A 8 10.131 -6.328 -22.143 1.00 74.50 N ATOM 124 CD2 HIS A 8 11.031 -7.009 -24.007 1.00 32.33 C ATOM 125 CE1 HIS A 8 9.453 -5.776 -23.127 1.00 74.32 C ATOM 126 NE2 HIS A 8 9.979 -6.169 -24.267 1.00 51.24 N ATOM 0 H HIS A 8 13.910 -8.858 -20.310 1.00 64.43 H new ATOM 0 HA HIS A 8 13.659 -6.426 -21.941 1.00 24.02 H new ATOM 0 HB2 HIS A 8 12.541 -8.689 -22.424 1.00 74.20 H new ATOM 0 HB3 HIS A 8 11.533 -8.400 -21.019 1.00 74.20 H new ATOM 0 HD1 HIS A 8 9.942 -6.193 -21.150 1.00 74.50 H new ATOM 0 HD2 HIS A 8 11.659 -7.494 -24.739 1.00 32.33 H new ATOM 0 HE1 HIS A 8 8.608 -5.113 -23.017 1.00 74.32 H new ATOM 135 N SER A 9 13.098 -6.428 -18.833 1.00 54.45 N ATOM 136 CA SER A 9 12.614 -5.721 -17.636 1.00 12.42 C ATOM 137 C SER A 9 12.677 -4.192 -17.777 1.00 61.42 C ATOM 138 O SER A 9 13.753 -3.609 -17.927 1.00 53.01 O ATOM 139 CB SER A 9 13.436 -6.145 -16.409 1.00 4.23 C ATOM 140 OG SER A 9 14.819 -5.860 -16.591 1.00 32.22 O ATOM 0 H SER A 9 13.809 -7.132 -18.634 1.00 54.45 H new ATOM 0 HA SER A 9 11.567 -5.997 -17.513 1.00 12.42 H new ATOM 0 HB2 SER A 9 13.068 -5.625 -15.525 1.00 4.23 H new ATOM 0 HB3 SER A 9 13.303 -7.212 -16.230 1.00 4.23 H new ATOM 0 HG SER A 9 15.040 -5.907 -17.545 1.00 32.22 H new ATOM 146 N HIS A 10 11.509 -3.553 -17.729 1.00 22.32 N ATOM 147 CA HIS A 10 11.400 -2.087 -17.731 1.00 51.13 C ATOM 148 C HIS A 10 10.194 -1.635 -16.891 1.00 70.34 C ATOM 149 O HIS A 10 9.137 -2.270 -16.911 1.00 11.15 O ATOM 150 CB HIS A 10 11.300 -1.546 -19.166 1.00 1.41 C ATOM 151 CG HIS A 10 12.622 -1.467 -19.866 1.00 22.11 C ATOM 152 ND1 HIS A 10 13.064 -2.413 -20.765 1.00 44.32 N ATOM 153 CD2 HIS A 10 13.609 -0.541 -19.790 1.00 41.10 C ATOM 154 CE1 HIS A 10 14.260 -2.076 -21.206 1.00 43.12 C ATOM 155 NE2 HIS A 10 14.614 -0.946 -20.631 1.00 33.12 N ATOM 0 H HIS A 10 10.610 -4.033 -17.688 1.00 22.32 H new ATOM 0 HA HIS A 10 12.304 -1.677 -17.281 1.00 51.13 H new ATOM 0 HB2 HIS A 10 10.630 -2.185 -19.741 1.00 1.41 H new ATOM 0 HB3 HIS A 10 10.850 -0.553 -19.142 1.00 1.41 H new ATOM 0 HD1 HIS A 10 12.546 -3.246 -21.046 1.00 44.32 H new ATOM 0 HD2 HIS A 10 13.605 0.350 -19.180 1.00 41.10 H new ATOM 0 HE1 HIS A 10 14.850 -2.633 -21.919 1.00 43.12 H new ATOM 164 N MET A 11 10.351 -0.529 -16.170 1.00 74.22 N ATOM 165 CA MET A 11 9.349 -0.099 -15.189 1.00 43.25 C ATOM 166 C MET A 11 8.150 0.616 -15.837 1.00 32.33 C ATOM 167 O MET A 11 8.296 1.389 -16.784 1.00 3.22 O ATOM 168 CB MET A 11 10.005 0.795 -14.118 1.00 42.40 C ATOM 169 CG MET A 11 10.751 2.014 -14.663 1.00 42.23 C ATOM 170 SD MET A 11 9.657 3.296 -15.309 1.00 32.34 S ATOM 171 CE MET A 11 8.730 3.739 -13.839 1.00 73.21 C ATOM 0 H MET A 11 11.160 0.088 -16.243 1.00 74.22 H new ATOM 0 HA MET A 11 8.954 -0.998 -14.716 1.00 43.25 H new ATOM 0 HB2 MET A 11 9.233 1.138 -13.430 1.00 42.40 H new ATOM 0 HB3 MET A 11 10.702 0.190 -13.539 1.00 42.40 H new ATOM 0 HG2 MET A 11 11.367 2.438 -13.870 1.00 42.23 H new ATOM 0 HG3 MET A 11 11.428 1.692 -15.454 1.00 42.23 H new ATOM 0 HE1 MET A 11 8.213 4.684 -14.006 1.00 73.21 H new ATOM 0 HE2 MET A 11 8.000 2.959 -13.620 1.00 73.21 H new ATOM 0 HE3 MET A 11 9.413 3.844 -12.996 1.00 73.21 H new ATOM 181 N LYS A 12 6.954 0.320 -15.331 1.00 62.21 N ATOM 182 CA LYS A 12 5.731 1.026 -15.729 1.00 62.53 C ATOM 183 C LYS A 12 5.464 2.214 -14.790 1.00 25.11 C ATOM 184 O LYS A 12 5.716 2.123 -13.585 1.00 63.21 O ATOM 185 CB LYS A 12 4.525 0.071 -15.685 1.00 72.42 C ATOM 186 CG LYS A 12 4.486 -0.967 -16.804 1.00 50.34 C ATOM 187 CD LYS A 12 4.325 -0.309 -18.174 1.00 64.42 C ATOM 188 CE LYS A 12 3.927 -1.315 -19.248 1.00 41.12 C ATOM 189 NZ LYS A 12 4.919 -2.411 -19.401 1.00 75.21 N ATOM 0 H LYS A 12 6.803 -0.412 -14.637 1.00 62.21 H new ATOM 0 HA LYS A 12 5.869 1.394 -16.746 1.00 62.53 H new ATOM 0 HB2 LYS A 12 4.526 -0.449 -14.727 1.00 72.42 H new ATOM 0 HB3 LYS A 12 3.610 0.662 -15.726 1.00 72.42 H new ATOM 0 HG2 LYS A 12 5.403 -1.556 -16.788 1.00 50.34 H new ATOM 0 HG3 LYS A 12 3.661 -1.658 -16.632 1.00 50.34 H new ATOM 0 HD2 LYS A 12 3.569 0.474 -18.113 1.00 64.42 H new ATOM 0 HD3 LYS A 12 5.261 0.172 -18.457 1.00 64.42 H new ATOM 0 HE2 LYS A 12 2.955 -1.742 -18.999 1.00 41.12 H new ATOM 0 HE3 LYS A 12 3.813 -0.798 -20.201 1.00 41.12 H new ATOM 0 HZ1 LYS A 12 4.644 -3.019 -20.199 1.00 75.21 H new ATOM 0 HZ2 LYS A 12 5.859 -2.005 -19.582 1.00 75.21 H new ATOM 0 HZ3 LYS A 12 4.948 -2.977 -18.529 1.00 75.21 H new ATOM 203 N PRO A 13 4.957 3.346 -15.315 1.00 40.32 N ATOM 204 CA PRO A 13 4.583 4.496 -14.474 1.00 43.21 C ATOM 205 C PRO A 13 3.521 4.125 -13.421 1.00 74.11 C ATOM 206 O PRO A 13 2.760 3.173 -13.604 1.00 72.24 O ATOM 207 CB PRO A 13 4.034 5.523 -15.481 1.00 73.11 C ATOM 208 CG PRO A 13 3.732 4.741 -16.719 1.00 63.13 C ATOM 209 CD PRO A 13 4.716 3.605 -16.746 1.00 12.14 C ATOM 0 HA PRO A 13 5.427 4.874 -13.897 1.00 43.21 H new ATOM 0 HB2 PRO A 13 3.139 6.011 -15.096 1.00 73.11 H new ATOM 0 HB3 PRO A 13 4.764 6.308 -15.680 1.00 73.11 H new ATOM 0 HG2 PRO A 13 2.708 4.369 -16.704 1.00 63.13 H new ATOM 0 HG3 PRO A 13 3.832 5.364 -17.608 1.00 63.13 H new ATOM 0 HD2 PRO A 13 4.309 2.730 -17.252 1.00 12.14 H new ATOM 0 HD3 PRO A 13 5.634 3.877 -17.268 1.00 12.14 H new ATOM 217 N LEU A 14 3.475 4.880 -12.321 1.00 33.42 N ATOM 218 CA LEU A 14 2.553 4.593 -11.207 1.00 60.10 C ATOM 219 C LEU A 14 1.099 4.401 -11.682 1.00 75.41 C ATOM 220 O LEU A 14 0.395 3.512 -11.210 1.00 12.53 O ATOM 221 CB LEU A 14 2.618 5.725 -10.171 1.00 21.30 C ATOM 222 CG LEU A 14 1.775 5.512 -8.900 1.00 14.30 C ATOM 223 CD1 LEU A 14 2.248 4.280 -8.129 1.00 51.30 C ATOM 224 CD2 LEU A 14 1.812 6.757 -8.014 1.00 4.15 C ATOM 0 H LEU A 14 4.065 5.698 -12.173 1.00 33.42 H new ATOM 0 HA LEU A 14 2.873 3.655 -10.754 1.00 60.10 H new ATOM 0 HB2 LEU A 14 3.658 5.865 -9.876 1.00 21.30 H new ATOM 0 HB3 LEU A 14 2.295 6.650 -10.649 1.00 21.30 H new ATOM 0 HG LEU A 14 0.742 5.340 -9.203 1.00 14.30 H new ATOM 0 HD11 LEU A 14 1.636 4.152 -7.236 1.00 51.30 H new ATOM 0 HD12 LEU A 14 2.155 3.397 -8.762 1.00 51.30 H new ATOM 0 HD13 LEU A 14 3.291 4.411 -7.839 1.00 51.30 H new ATOM 0 HD21 LEU A 14 1.210 6.586 -7.121 1.00 4.15 H new ATOM 0 HD22 LEU A 14 2.841 6.966 -7.723 1.00 4.15 H new ATOM 0 HD23 LEU A 14 1.411 7.608 -8.565 1.00 4.15 H new ATOM 236 N ALA A 15 0.668 5.226 -12.632 1.00 63.15 N ATOM 237 CA ALA A 15 -0.710 5.184 -13.141 1.00 55.10 C ATOM 238 C ALA A 15 -1.017 3.904 -13.949 1.00 50.55 C ATOM 239 O ALA A 15 -2.181 3.568 -14.169 1.00 44.34 O ATOM 240 CB ALA A 15 -0.982 6.419 -13.991 1.00 34.13 C ATOM 0 H ALA A 15 1.253 5.937 -13.070 1.00 63.15 H new ATOM 0 HA ALA A 15 -1.371 5.172 -12.274 1.00 55.10 H new ATOM 0 HB1 ALA A 15 -2.005 6.384 -14.367 1.00 34.13 H new ATOM 0 HB2 ALA A 15 -0.848 7.315 -13.384 1.00 34.13 H new ATOM 0 HB3 ALA A 15 -0.288 6.443 -14.831 1.00 34.13 H new ATOM 246 N GLU A 16 0.026 3.204 -14.394 1.00 20.41 N ATOM 247 CA GLU A 16 -0.137 1.966 -15.177 1.00 35.42 C ATOM 248 C GLU A 16 0.009 0.711 -14.301 1.00 24.02 C ATOM 249 O GLU A 16 -0.037 -0.415 -14.798 1.00 22.12 O ATOM 250 CB GLU A 16 0.891 1.925 -16.317 1.00 24.51 C ATOM 251 CG GLU A 16 0.651 2.960 -17.411 1.00 11.12 C ATOM 252 CD GLU A 16 -0.661 2.734 -18.151 1.00 14.10 C ATOM 253 OE1 GLU A 16 -0.716 1.817 -18.999 1.00 41.25 O ATOM 254 OE2 GLU A 16 -1.635 3.472 -17.893 1.00 30.54 O ATOM 0 H GLU A 16 0.997 3.469 -14.228 1.00 20.41 H new ATOM 0 HA GLU A 16 -1.146 1.969 -15.590 1.00 35.42 H new ATOM 0 HB2 GLU A 16 1.886 2.078 -15.900 1.00 24.51 H new ATOM 0 HB3 GLU A 16 0.882 0.931 -16.764 1.00 24.51 H new ATOM 0 HG2 GLU A 16 0.648 3.957 -16.969 1.00 11.12 H new ATOM 0 HG3 GLU A 16 1.476 2.929 -18.123 1.00 11.12 H new ATOM 261 N GLN A 17 0.184 0.909 -12.998 1.00 52.34 N ATOM 262 CA GLN A 17 0.341 -0.207 -12.061 1.00 54.52 C ATOM 263 C GLN A 17 -1.019 -0.839 -11.713 1.00 3.42 C ATOM 264 O GLN A 17 -1.949 -0.149 -11.295 1.00 2.03 O ATOM 265 CB GLN A 17 1.043 0.273 -10.783 1.00 31.50 C ATOM 266 CG GLN A 17 2.465 0.782 -11.011 1.00 11.55 C ATOM 267 CD GLN A 17 3.414 -0.298 -11.505 1.00 53.23 C ATOM 268 OE1 GLN A 17 3.261 -1.474 -11.195 1.00 11.24 O ATOM 269 NE2 GLN A 17 4.406 0.090 -12.276 1.00 3.13 N ATOM 0 H GLN A 17 0.221 1.831 -12.563 1.00 52.34 H new ATOM 0 HA GLN A 17 0.953 -0.969 -12.543 1.00 54.52 H new ATOM 0 HB2 GLN A 17 0.451 1.069 -10.332 1.00 31.50 H new ATOM 0 HB3 GLN A 17 1.072 -0.548 -10.066 1.00 31.50 H new ATOM 0 HG2 GLN A 17 2.441 1.596 -11.736 1.00 11.55 H new ATOM 0 HG3 GLN A 17 2.850 1.197 -10.079 1.00 11.55 H new ATOM 0 HE21 GLN A 17 4.509 1.076 -12.518 1.00 3.13 H new ATOM 0 HE22 GLN A 17 5.073 -0.595 -12.632 1.00 3.13 H new ATOM 278 N ASP A 18 -1.122 -2.159 -11.874 1.00 33.35 N ATOM 279 CA ASP A 18 -2.369 -2.883 -11.604 1.00 64.24 C ATOM 280 C ASP A 18 -2.786 -2.795 -10.123 1.00 0.40 C ATOM 281 O ASP A 18 -3.976 -2.787 -9.802 1.00 40.15 O ATOM 282 CB ASP A 18 -2.233 -4.346 -12.046 1.00 4.22 C ATOM 283 CG ASP A 18 -1.010 -5.019 -11.451 1.00 64.30 C ATOM 284 OD1 ASP A 18 0.093 -4.844 -12.006 1.00 14.14 O ATOM 285 OD2 ASP A 18 -1.145 -5.727 -10.430 1.00 44.22 O ATOM 0 H ASP A 18 -0.355 -2.752 -12.191 1.00 33.35 H new ATOM 0 HA ASP A 18 -3.160 -2.406 -12.183 1.00 64.24 H new ATOM 0 HB2 ASP A 18 -3.127 -4.896 -11.751 1.00 4.22 H new ATOM 0 HB3 ASP A 18 -2.176 -4.390 -13.134 1.00 4.22 H new ATOM 290 N TRP A 19 -1.804 -2.723 -9.228 1.00 55.54 N ATOM 291 CA TRP A 19 -2.071 -2.563 -7.791 1.00 42.43 C ATOM 292 C TRP A 19 -2.478 -1.120 -7.442 1.00 23.02 C ATOM 293 O TRP A 19 -2.966 -0.851 -6.340 1.00 73.12 O ATOM 294 CB TRP A 19 -0.845 -2.996 -6.965 1.00 21.23 C ATOM 295 CG TRP A 19 0.462 -2.439 -7.461 1.00 13.13 C ATOM 296 CD1 TRP A 19 1.296 -3.007 -8.386 1.00 3.04 C ATOM 297 CD2 TRP A 19 1.095 -1.217 -7.052 1.00 65.32 C ATOM 298 NE1 TRP A 19 2.396 -2.211 -8.580 1.00 11.22 N ATOM 299 CE2 TRP A 19 2.298 -1.109 -7.772 1.00 2.43 C ATOM 300 CE3 TRP A 19 0.757 -0.204 -6.149 1.00 53.12 C ATOM 301 CZ2 TRP A 19 3.164 -0.030 -7.617 1.00 43.14 C ATOM 302 CZ3 TRP A 19 1.619 0.868 -5.997 1.00 21.41 C ATOM 303 CH2 TRP A 19 2.810 0.948 -6.729 1.00 71.35 C ATOM 0 H TRP A 19 -0.814 -2.772 -9.467 1.00 55.54 H new ATOM 0 HA TRP A 19 -2.912 -3.209 -7.538 1.00 42.43 H new ATOM 0 HB2 TRP A 19 -0.990 -2.685 -5.930 1.00 21.23 H new ATOM 0 HB3 TRP A 19 -0.787 -4.084 -6.966 1.00 21.23 H new ATOM 0 HD1 TRP A 19 1.114 -3.945 -8.890 1.00 3.04 H new ATOM 0 HE1 TRP A 19 3.163 -2.408 -9.222 1.00 11.22 H new ATOM 0 HE3 TRP A 19 -0.160 -0.257 -5.581 1.00 53.12 H new ATOM 0 HZ2 TRP A 19 4.084 0.033 -8.179 1.00 43.14 H new ATOM 0 HZ3 TRP A 19 1.369 1.656 -5.302 1.00 21.41 H new ATOM 0 HH2 TRP A 19 3.461 1.798 -6.590 1.00 71.35 H new ATOM 314 N TYR A 20 -2.284 -0.198 -8.384 1.00 1.51 N ATOM 315 CA TYR A 20 -2.690 1.198 -8.200 1.00 70.01 C ATOM 316 C TYR A 20 -4.098 1.434 -8.771 1.00 75.21 C ATOM 317 O TYR A 20 -4.323 1.307 -9.972 1.00 73.13 O ATOM 318 CB TYR A 20 -1.678 2.135 -8.873 1.00 31.31 C ATOM 319 CG TYR A 20 -2.036 3.609 -8.773 1.00 70.33 C ATOM 320 CD1 TYR A 20 -2.029 4.263 -7.547 1.00 1.13 C ATOM 321 CD2 TYR A 20 -2.388 4.344 -9.905 1.00 44.41 C ATOM 322 CE1 TYR A 20 -2.355 5.601 -7.451 1.00 4.35 C ATOM 323 CE2 TYR A 20 -2.714 5.685 -9.813 1.00 13.21 C ATOM 324 CZ TYR A 20 -2.698 6.308 -8.584 1.00 13.22 C ATOM 325 OH TYR A 20 -3.025 7.644 -8.486 1.00 14.31 O ATOM 0 H TYR A 20 -1.847 -0.392 -9.285 1.00 1.51 H new ATOM 0 HA TYR A 20 -2.714 1.413 -7.132 1.00 70.01 H new ATOM 0 HB2 TYR A 20 -0.698 1.979 -8.422 1.00 31.31 H new ATOM 0 HB3 TYR A 20 -1.591 1.864 -9.925 1.00 31.31 H new ATOM 0 HD1 TYR A 20 -1.764 3.716 -6.655 1.00 1.13 H new ATOM 0 HD2 TYR A 20 -2.406 3.858 -10.869 1.00 44.41 H new ATOM 0 HE1 TYR A 20 -2.341 6.093 -6.490 1.00 4.35 H new ATOM 0 HE2 TYR A 20 -2.980 6.241 -10.700 1.00 13.21 H new ATOM 0 HH TYR A 20 -2.697 7.999 -7.634 1.00 14.31 H new ATOM 335 N HIS A 21 -5.047 1.783 -7.903 1.00 62.50 N ATOM 336 CA HIS A 21 -6.448 1.957 -8.318 1.00 31.44 C ATOM 337 C HIS A 21 -6.866 3.435 -8.366 1.00 73.33 C ATOM 338 O HIS A 21 -8.044 3.748 -8.542 1.00 3.20 O ATOM 339 CB HIS A 21 -7.376 1.167 -7.383 1.00 51.42 C ATOM 340 CG HIS A 21 -7.239 -0.323 -7.530 1.00 22.31 C ATOM 341 ND1 HIS A 21 -8.278 -1.144 -7.921 1.00 22.04 N ATOM 342 CD2 HIS A 21 -6.172 -1.137 -7.350 1.00 4.32 C ATOM 343 CE1 HIS A 21 -7.854 -2.392 -7.976 1.00 43.45 C ATOM 344 NE2 HIS A 21 -6.582 -2.415 -7.638 1.00 12.40 N ATOM 0 H HIS A 21 -4.877 1.951 -6.911 1.00 62.50 H new ATOM 0 HA HIS A 21 -6.538 1.568 -9.332 1.00 31.44 H new ATOM 0 HB2 HIS A 21 -7.162 1.445 -6.351 1.00 51.42 H new ATOM 0 HB3 HIS A 21 -8.409 1.451 -7.582 1.00 51.42 H new ATOM 0 HD2 HIS A 21 -5.183 -0.837 -7.038 1.00 4.32 H new ATOM 0 HE1 HIS A 21 -8.450 -3.250 -8.252 1.00 43.45 H new ATOM 0 HE2 HIS A 21 -5.995 -3.248 -7.597 1.00 12.40 H new ATOM 353 N GLY A 22 -5.894 4.333 -8.219 1.00 35.25 N ATOM 354 CA GLY A 22 -6.168 5.764 -8.322 1.00 21.14 C ATOM 355 C GLY A 22 -6.833 6.361 -7.083 1.00 62.20 C ATOM 356 O GLY A 22 -6.886 5.735 -6.021 1.00 21.35 O ATOM 0 H GLY A 22 -4.919 4.098 -8.030 1.00 35.25 H new ATOM 0 HA2 GLY A 22 -5.232 6.290 -8.508 1.00 21.14 H new ATOM 0 HA3 GLY A 22 -6.809 5.939 -9.186 1.00 21.14 H new ATOM 360 N ALA A 23 -7.329 7.588 -7.215 1.00 65.01 N ATOM 361 CA ALA A 23 -8.025 8.264 -6.117 1.00 2.41 C ATOM 362 C ALA A 23 -9.441 7.702 -5.911 1.00 53.02 C ATOM 363 O ALA A 23 -10.402 8.165 -6.524 1.00 12.53 O ATOM 364 CB ALA A 23 -8.080 9.769 -6.367 1.00 43.44 C ATOM 0 H ALA A 23 -7.263 8.138 -8.072 1.00 65.01 H new ATOM 0 HA ALA A 23 -7.460 8.078 -5.204 1.00 2.41 H new ATOM 0 HB1 ALA A 23 -8.600 10.256 -5.542 1.00 43.44 H new ATOM 0 HB2 ALA A 23 -7.066 10.163 -6.440 1.00 43.44 H new ATOM 0 HB3 ALA A 23 -8.613 9.964 -7.298 1.00 43.44 H new ATOM 370 N ILE A 24 -9.561 6.690 -5.054 1.00 34.32 N ATOM 371 CA ILE A 24 -10.858 6.061 -4.765 1.00 5.35 C ATOM 372 C ILE A 24 -11.201 6.134 -3.267 1.00 2.30 C ATOM 373 O ILE A 24 -10.310 6.219 -2.421 1.00 62.43 O ATOM 374 CB ILE A 24 -10.889 4.577 -5.223 1.00 30.00 C ATOM 375 CG1 ILE A 24 -9.790 3.762 -4.519 1.00 3.20 C ATOM 376 CG2 ILE A 24 -10.749 4.480 -6.743 1.00 65.21 C ATOM 377 CD1 ILE A 24 -9.813 2.283 -4.851 1.00 32.50 C ATOM 0 H ILE A 24 -8.777 6.284 -4.544 1.00 34.32 H new ATOM 0 HA ILE A 24 -11.604 6.621 -5.328 1.00 5.35 H new ATOM 0 HB ILE A 24 -11.853 4.154 -4.941 1.00 30.00 H new ATOM 0 HG12 ILE A 24 -8.817 4.170 -4.792 1.00 3.20 H new ATOM 0 HG13 ILE A 24 -9.895 3.884 -3.441 1.00 3.20 H new ATOM 0 HG21 ILE A 24 -10.773 3.433 -7.044 1.00 65.21 H new ATOM 0 HG22 ILE A 24 -11.572 5.014 -7.219 1.00 65.21 H new ATOM 0 HG23 ILE A 24 -9.802 4.924 -7.050 1.00 65.21 H new ATOM 0 HD11 ILE A 24 -9.009 1.778 -4.316 1.00 32.50 H new ATOM 0 HD12 ILE A 24 -10.771 1.858 -4.552 1.00 32.50 H new ATOM 0 HD13 ILE A 24 -9.676 2.149 -5.924 1.00 32.50 H new ATOM 389 N PRO A 25 -12.504 6.121 -2.919 1.00 75.03 N ATOM 390 CA PRO A 25 -12.955 6.134 -1.513 1.00 22.34 C ATOM 391 C PRO A 25 -12.449 4.927 -0.701 1.00 31.11 C ATOM 392 O PRO A 25 -12.139 3.870 -1.257 1.00 4.53 O ATOM 393 CB PRO A 25 -14.488 6.095 -1.625 1.00 63.42 C ATOM 394 CG PRO A 25 -14.788 6.581 -3.002 1.00 1.33 C ATOM 395 CD PRO A 25 -13.644 6.115 -3.859 1.00 62.31 C ATOM 0 HA PRO A 25 -12.569 7.005 -0.983 1.00 22.34 H new ATOM 0 HB2 PRO A 25 -14.869 5.085 -1.471 1.00 63.42 H new ATOM 0 HB3 PRO A 25 -14.955 6.730 -0.872 1.00 63.42 H new ATOM 0 HG2 PRO A 25 -15.735 6.178 -3.361 1.00 1.33 H new ATOM 0 HG3 PRO A 25 -14.875 7.667 -3.023 1.00 1.33 H new ATOM 0 HD2 PRO A 25 -13.825 5.121 -4.269 1.00 62.31 H new ATOM 0 HD3 PRO A 25 -13.474 6.782 -4.704 1.00 62.31 H new ATOM 403 N ARG A 26 -12.388 5.090 0.619 1.00 20.14 N ATOM 404 CA ARG A 26 -11.951 4.020 1.524 1.00 25.22 C ATOM 405 C ARG A 26 -12.822 2.759 1.354 1.00 51.31 C ATOM 406 O ARG A 26 -12.349 1.632 1.517 1.00 71.50 O ATOM 407 CB ARG A 26 -12.007 4.529 2.972 1.00 52.02 C ATOM 408 CG ARG A 26 -11.375 3.595 4.001 1.00 34.03 C ATOM 409 CD ARG A 26 -11.395 4.214 5.395 1.00 2.52 C ATOM 410 NE ARG A 26 -10.683 5.495 5.439 1.00 74.02 N ATOM 411 CZ ARG A 26 -11.220 6.627 5.816 1.00 12.35 C ATOM 412 NH1 ARG A 26 -12.452 6.676 6.212 1.00 73.35 N ATOM 413 NH2 ARG A 26 -10.516 7.713 5.800 1.00 2.41 N ATOM 0 H ARG A 26 -12.637 5.959 1.092 1.00 20.14 H new ATOM 0 HA ARG A 26 -10.926 3.743 1.278 1.00 25.22 H new ATOM 0 HB2 ARG A 26 -11.506 5.496 3.023 1.00 52.02 H new ATOM 0 HB3 ARG A 26 -13.049 4.696 3.244 1.00 52.02 H new ATOM 0 HG2 ARG A 26 -11.913 2.647 4.014 1.00 34.03 H new ATOM 0 HG3 ARG A 26 -10.347 3.375 3.713 1.00 34.03 H new ATOM 0 HD2 ARG A 26 -12.428 4.363 5.711 1.00 2.52 H new ATOM 0 HD3 ARG A 26 -10.941 3.523 6.105 1.00 2.52 H new ATOM 0 HE ARG A 26 -9.703 5.504 5.157 1.00 74.02 H new ATOM 0 HH11 ARG A 26 -13.015 5.826 6.233 1.00 73.35 H new ATOM 0 HH12 ARG A 26 -12.859 7.565 6.503 1.00 73.35 H new ATOM 0 HH21 ARG A 26 -9.543 7.686 5.494 1.00 2.41 H new ATOM 0 HH22 ARG A 26 -10.934 8.596 6.094 1.00 2.41 H new ATOM 427 N ILE A 27 -14.092 2.969 1.005 1.00 10.31 N ATOM 428 CA ILE A 27 -15.026 1.871 0.729 1.00 13.33 C ATOM 429 C ILE A 27 -14.545 1.018 -0.457 1.00 11.22 C ATOM 430 O ILE A 27 -14.347 -0.188 -0.326 1.00 0.32 O ATOM 431 CB ILE A 27 -16.447 2.410 0.426 1.00 61.44 C ATOM 432 CG1 ILE A 27 -16.937 3.310 1.574 1.00 4.01 C ATOM 433 CG2 ILE A 27 -17.422 1.254 0.193 1.00 55.21 C ATOM 434 CD1 ILE A 27 -18.292 3.938 1.324 1.00 34.21 C ATOM 0 H ILE A 27 -14.502 3.898 0.906 1.00 10.31 H new ATOM 0 HA ILE A 27 -15.063 1.249 1.623 1.00 13.33 H new ATOM 0 HB ILE A 27 -16.402 3.008 -0.484 1.00 61.44 H new ATOM 0 HG12 ILE A 27 -16.984 2.721 2.490 1.00 4.01 H new ATOM 0 HG13 ILE A 27 -16.206 4.101 1.740 1.00 4.01 H new ATOM 0 HG21 ILE A 27 -18.414 1.652 -0.018 1.00 55.21 H new ATOM 0 HG22 ILE A 27 -17.083 0.657 -0.653 1.00 55.21 H new ATOM 0 HG23 ILE A 27 -17.464 0.628 1.085 1.00 55.21 H new ATOM 0 HD11 ILE A 27 -18.569 4.558 2.177 1.00 34.21 H new ATOM 0 HD12 ILE A 27 -18.247 4.555 0.427 1.00 34.21 H new ATOM 0 HD13 ILE A 27 -19.037 3.154 1.188 1.00 34.21 H new ATOM 446 N GLU A 28 -14.340 1.657 -1.608 1.00 63.24 N ATOM 447 CA GLU A 28 -13.844 0.965 -2.807 1.00 2.25 C ATOM 448 C GLU A 28 -12.543 0.198 -2.516 1.00 42.23 C ATOM 449 O GLU A 28 -12.273 -0.848 -3.109 1.00 65.12 O ATOM 450 CB GLU A 28 -13.615 1.972 -3.944 1.00 52.15 C ATOM 451 CG GLU A 28 -14.889 2.640 -4.459 1.00 61.52 C ATOM 452 CD GLU A 28 -15.850 1.654 -5.113 1.00 52.41 C ATOM 453 OE1 GLU A 28 -15.454 1.010 -6.108 1.00 62.23 O ATOM 454 OE2 GLU A 28 -17.006 1.536 -4.655 1.00 0.53 O ATOM 0 H GLU A 28 -14.509 2.654 -1.740 1.00 63.24 H new ATOM 0 HA GLU A 28 -14.601 0.242 -3.111 1.00 2.25 H new ATOM 0 HB2 GLU A 28 -12.929 2.744 -3.597 1.00 52.15 H new ATOM 0 HB3 GLU A 28 -13.126 1.461 -4.773 1.00 52.15 H new ATOM 0 HG2 GLU A 28 -15.394 3.137 -3.630 1.00 61.52 H new ATOM 0 HG3 GLU A 28 -14.623 3.413 -5.180 1.00 61.52 H new ATOM 461 N ALA A 29 -11.747 0.728 -1.590 1.00 54.45 N ATOM 462 CA ALA A 29 -10.499 0.084 -1.179 1.00 54.44 C ATOM 463 C ALA A 29 -10.749 -1.249 -0.448 1.00 61.50 C ATOM 464 O ALA A 29 -10.092 -2.249 -0.729 1.00 21.24 O ATOM 465 CB ALA A 29 -9.689 1.028 -0.297 1.00 54.02 C ATOM 0 H ALA A 29 -11.944 1.605 -1.108 1.00 54.45 H new ATOM 0 HA ALA A 29 -9.933 -0.143 -2.082 1.00 54.44 H new ATOM 0 HB1 ALA A 29 -8.762 0.540 0.004 1.00 54.02 H new ATOM 0 HB2 ALA A 29 -9.457 1.936 -0.853 1.00 54.02 H new ATOM 0 HB3 ALA A 29 -10.268 1.284 0.590 1.00 54.02 H new ATOM 471 N GLN A 30 -11.701 -1.261 0.491 1.00 64.33 N ATOM 472 CA GLN A 30 -12.005 -2.480 1.262 1.00 13.05 C ATOM 473 C GLN A 30 -12.817 -3.498 0.445 1.00 60.01 C ATOM 474 O GLN A 30 -12.618 -4.706 0.575 1.00 5.11 O ATOM 475 CB GLN A 30 -12.772 -2.147 2.556 1.00 42.14 C ATOM 476 CG GLN A 30 -14.073 -1.375 2.333 1.00 20.31 C ATOM 477 CD GLN A 30 -15.050 -1.499 3.490 1.00 12.44 C ATOM 478 OE1 GLN A 30 -14.996 -0.743 4.456 1.00 13.34 O ATOM 479 NE2 GLN A 30 -15.976 -2.429 3.387 1.00 13.22 N ATOM 0 H GLN A 30 -12.271 -0.452 0.737 1.00 64.33 H new ATOM 0 HA GLN A 30 -11.043 -2.927 1.514 1.00 13.05 H new ATOM 0 HB2 GLN A 30 -12.999 -3.076 3.080 1.00 42.14 H new ATOM 0 HB3 GLN A 30 -12.124 -1.563 3.209 1.00 42.14 H new ATOM 0 HG2 GLN A 30 -13.840 -0.322 2.174 1.00 20.31 H new ATOM 0 HG3 GLN A 30 -14.551 -1.737 1.422 1.00 20.31 H new ATOM 0 HE21 GLN A 30 -15.995 -3.042 2.572 1.00 13.22 H new ATOM 0 HE22 GLN A 30 -16.675 -2.537 4.122 1.00 13.22 H new ATOM 488 N GLU A 31 -13.725 -3.005 -0.396 1.00 62.44 N ATOM 489 CA GLU A 31 -14.644 -3.864 -1.155 1.00 50.41 C ATOM 490 C GLU A 31 -13.915 -4.918 -2.001 1.00 72.01 C ATOM 491 O GLU A 31 -14.386 -6.050 -2.133 1.00 63.00 O ATOM 492 CB GLU A 31 -15.555 -3.012 -2.050 1.00 53.13 C ATOM 493 CG GLU A 31 -16.530 -2.134 -1.272 1.00 64.21 C ATOM 494 CD GLU A 31 -17.464 -2.940 -0.385 1.00 4.30 C ATOM 495 OE1 GLU A 31 -18.542 -3.348 -0.867 1.00 44.24 O ATOM 496 OE2 GLU A 31 -17.120 -3.182 0.794 1.00 61.15 O ATOM 0 H GLU A 31 -13.847 -2.008 -0.572 1.00 62.44 H new ATOM 0 HA GLU A 31 -15.246 -4.402 -0.422 1.00 50.41 H new ATOM 0 HB2 GLU A 31 -14.936 -2.378 -2.685 1.00 53.13 H new ATOM 0 HB3 GLU A 31 -16.120 -3.670 -2.710 1.00 53.13 H new ATOM 0 HG2 GLU A 31 -15.968 -1.431 -0.657 1.00 64.21 H new ATOM 0 HG3 GLU A 31 -17.120 -1.544 -1.973 1.00 64.21 H new ATOM 503 N LEU A 32 -12.768 -4.559 -2.562 1.00 30.33 N ATOM 504 CA LEU A 32 -12.026 -5.481 -3.430 1.00 41.21 C ATOM 505 C LEU A 32 -11.110 -6.430 -2.630 1.00 23.32 C ATOM 506 O LEU A 32 -10.655 -7.450 -3.149 1.00 10.32 O ATOM 507 CB LEU A 32 -11.242 -4.691 -4.491 1.00 11.21 C ATOM 508 CG LEU A 32 -10.187 -3.692 -3.975 1.00 31.22 C ATOM 509 CD1 LEU A 32 -8.841 -4.376 -3.764 1.00 11.23 C ATOM 510 CD2 LEU A 32 -10.053 -2.513 -4.938 1.00 33.15 C ATOM 0 H LEU A 32 -12.330 -3.647 -2.437 1.00 30.33 H new ATOM 0 HA LEU A 32 -12.750 -6.118 -3.938 1.00 41.21 H new ATOM 0 HB2 LEU A 32 -10.742 -5.405 -5.146 1.00 11.21 H new ATOM 0 HB3 LEU A 32 -11.958 -4.143 -5.104 1.00 11.21 H new ATOM 0 HG LEU A 32 -10.522 -3.312 -3.010 1.00 31.22 H new ATOM 0 HD11 LEU A 32 -8.116 -3.648 -3.400 1.00 11.23 H new ATOM 0 HD12 LEU A 32 -8.950 -5.176 -3.032 1.00 11.23 H new ATOM 0 HD13 LEU A 32 -8.493 -4.793 -4.709 1.00 11.23 H new ATOM 0 HD21 LEU A 32 -9.304 -1.817 -4.559 1.00 33.15 H new ATOM 0 HD22 LEU A 32 -9.747 -2.877 -5.919 1.00 33.15 H new ATOM 0 HD23 LEU A 32 -11.012 -2.003 -5.024 1.00 33.15 H new ATOM 522 N LEU A 33 -10.877 -6.117 -1.359 1.00 15.32 N ATOM 523 CA LEU A 33 -10.038 -6.956 -0.488 1.00 74.42 C ATOM 524 C LEU A 33 -10.859 -8.097 0.134 1.00 51.42 C ATOM 525 O LEU A 33 -11.619 -7.879 1.083 1.00 24.42 O ATOM 526 CB LEU A 33 -9.416 -6.099 0.622 1.00 60.21 C ATOM 527 CG LEU A 33 -8.605 -4.889 0.139 1.00 64.51 C ATOM 528 CD1 LEU A 33 -8.129 -4.048 1.319 1.00 12.02 C ATOM 529 CD2 LEU A 33 -7.426 -5.339 -0.714 1.00 32.33 C ATOM 0 H LEU A 33 -11.255 -5.287 -0.902 1.00 15.32 H new ATOM 0 HA LEU A 33 -9.246 -7.394 -1.096 1.00 74.42 H new ATOM 0 HB2 LEU A 33 -10.214 -5.744 1.274 1.00 60.21 H new ATOM 0 HB3 LEU A 33 -8.767 -6.732 1.227 1.00 60.21 H new ATOM 0 HG LEU A 33 -9.255 -4.268 -0.477 1.00 64.51 H new ATOM 0 HD11 LEU A 33 -7.557 -3.196 0.951 1.00 12.02 H new ATOM 0 HD12 LEU A 33 -8.991 -3.690 1.882 1.00 12.02 H new ATOM 0 HD13 LEU A 33 -7.499 -4.656 1.968 1.00 12.02 H new ATOM 0 HD21 LEU A 33 -6.864 -4.467 -1.047 1.00 32.33 H new ATOM 0 HD22 LEU A 33 -6.777 -5.986 -0.125 1.00 32.33 H new ATOM 0 HD23 LEU A 33 -7.793 -5.887 -1.582 1.00 32.33 H new ATOM 541 N LYS A 34 -10.706 -9.316 -0.396 1.00 51.12 N ATOM 542 CA LYS A 34 -11.510 -10.458 0.073 1.00 31.24 C ATOM 543 C LYS A 34 -10.675 -11.497 0.843 1.00 55.01 C ATOM 544 O LYS A 34 -11.111 -11.999 1.881 1.00 40.32 O ATOM 545 CB LYS A 34 -12.255 -11.142 -1.094 1.00 4.15 C ATOM 546 CG LYS A 34 -11.357 -11.781 -2.157 1.00 43.44 C ATOM 547 CD LYS A 34 -10.766 -10.764 -3.133 1.00 3.12 C ATOM 548 CE LYS A 34 -11.811 -10.189 -4.092 1.00 62.32 C ATOM 549 NZ LYS A 34 -12.779 -9.286 -3.416 1.00 70.54 N ATOM 0 H LYS A 34 -10.044 -9.539 -1.139 1.00 51.12 H new ATOM 0 HA LYS A 34 -12.242 -10.044 0.766 1.00 31.24 H new ATOM 0 HB2 LYS A 34 -12.910 -11.911 -0.685 1.00 4.15 H new ATOM 0 HB3 LYS A 34 -12.894 -10.404 -1.578 1.00 4.15 H new ATOM 0 HG2 LYS A 34 -10.546 -12.317 -1.664 1.00 43.44 H new ATOM 0 HG3 LYS A 34 -11.933 -12.519 -2.715 1.00 43.44 H new ATOM 0 HD2 LYS A 34 -10.308 -9.950 -2.570 1.00 3.12 H new ATOM 0 HD3 LYS A 34 -9.972 -11.239 -3.710 1.00 3.12 H new ATOM 0 HE2 LYS A 34 -11.305 -9.642 -4.887 1.00 62.32 H new ATOM 0 HE3 LYS A 34 -12.354 -11.008 -4.564 1.00 62.32 H new ATOM 0 HZ1 LYS A 34 -13.159 -8.606 -4.105 1.00 70.54 H new ATOM 0 HZ2 LYS A 34 -13.558 -9.848 -3.018 1.00 70.54 H new ATOM 0 HZ3 LYS A 34 -12.298 -8.771 -2.651 1.00 70.54 H new ATOM 563 N LYS A 35 -9.487 -11.831 0.347 1.00 50.13 N ATOM 564 CA LYS A 35 -8.640 -12.840 1.005 1.00 34.24 C ATOM 565 C LYS A 35 -7.367 -12.221 1.600 1.00 35.14 C ATOM 566 O LYS A 35 -7.067 -11.048 1.380 1.00 62.12 O ATOM 567 CB LYS A 35 -8.284 -13.981 0.035 1.00 15.02 C ATOM 568 CG LYS A 35 -7.865 -13.519 -1.357 1.00 62.54 C ATOM 569 CD LYS A 35 -7.166 -14.622 -2.144 1.00 23.30 C ATOM 570 CE LYS A 35 -5.765 -14.894 -1.606 1.00 34.33 C ATOM 571 NZ LYS A 35 -4.858 -13.727 -1.805 1.00 64.40 N ATOM 0 H LYS A 35 -9.086 -11.427 -0.499 1.00 50.13 H new ATOM 0 HA LYS A 35 -9.220 -13.255 1.829 1.00 34.24 H new ATOM 0 HB2 LYS A 35 -7.475 -14.570 0.468 1.00 15.02 H new ATOM 0 HB3 LYS A 35 -9.145 -14.643 -0.059 1.00 15.02 H new ATOM 0 HG2 LYS A 35 -8.745 -13.184 -1.907 1.00 62.54 H new ATOM 0 HG3 LYS A 35 -7.199 -12.661 -1.268 1.00 62.54 H new ATOM 0 HD2 LYS A 35 -7.759 -15.536 -2.096 1.00 23.30 H new ATOM 0 HD3 LYS A 35 -7.104 -14.337 -3.194 1.00 23.30 H new ATOM 0 HE2 LYS A 35 -5.824 -15.132 -0.544 1.00 34.33 H new ATOM 0 HE3 LYS A 35 -5.347 -15.768 -2.106 1.00 34.33 H new ATOM 0 HZ1 LYS A 35 -4.189 -13.934 -2.574 1.00 64.40 H new ATOM 0 HZ2 LYS A 35 -5.421 -12.888 -2.052 1.00 64.40 H new ATOM 0 HZ3 LYS A 35 -4.330 -13.544 -0.928 1.00 64.40 H new ATOM 585 N GLN A 36 -6.629 -13.022 2.370 1.00 3.35 N ATOM 586 CA GLN A 36 -5.410 -12.548 3.038 1.00 13.33 C ATOM 587 C GLN A 36 -4.311 -12.164 2.030 1.00 3.20 C ATOM 588 O GLN A 36 -4.076 -12.868 1.045 1.00 61.20 O ATOM 589 CB GLN A 36 -4.882 -13.624 4.002 1.00 21.02 C ATOM 590 CG GLN A 36 -3.662 -13.185 4.811 1.00 72.54 C ATOM 591 CD GLN A 36 -3.174 -14.252 5.778 1.00 33.42 C ATOM 592 OE1 GLN A 36 -2.323 -15.070 5.446 1.00 20.14 O ATOM 593 NE2 GLN A 36 -3.716 -14.259 6.978 1.00 63.24 N ATOM 0 H GLN A 36 -6.851 -14.001 2.548 1.00 3.35 H new ATOM 0 HA GLN A 36 -5.673 -11.651 3.598 1.00 13.33 H new ATOM 0 HB2 GLN A 36 -5.680 -13.905 4.690 1.00 21.02 H new ATOM 0 HB3 GLN A 36 -4.625 -14.516 3.430 1.00 21.02 H new ATOM 0 HG2 GLN A 36 -2.854 -12.926 4.127 1.00 72.54 H new ATOM 0 HG3 GLN A 36 -3.909 -12.282 5.370 1.00 72.54 H new ATOM 0 HE21 GLN A 36 -4.422 -13.564 7.223 1.00 63.24 H new ATOM 0 HE22 GLN A 36 -3.430 -14.959 7.663 1.00 63.24 H new ATOM 602 N GLY A 37 -3.642 -11.042 2.293 1.00 32.35 N ATOM 603 CA GLY A 37 -2.548 -10.588 1.438 1.00 22.50 C ATOM 604 C GLY A 37 -2.963 -9.482 0.476 1.00 62.20 C ATOM 605 O GLY A 37 -2.184 -8.570 0.198 1.00 55.11 O ATOM 0 H GLY A 37 -3.838 -10.434 3.088 1.00 32.35 H new ATOM 0 HA2 GLY A 37 -1.730 -10.230 2.063 1.00 22.50 H new ATOM 0 HA3 GLY A 37 -2.166 -11.434 0.867 1.00 22.50 H new ATOM 609 N ASP A 38 -4.203 -9.562 -0.007 1.00 43.34 N ATOM 610 CA ASP A 38 -4.737 -8.608 -0.983 1.00 13.44 C ATOM 611 C ASP A 38 -4.488 -7.153 -0.555 1.00 5.21 C ATOM 612 O ASP A 38 -4.853 -6.747 0.552 1.00 33.31 O ATOM 613 CB ASP A 38 -6.249 -8.833 -1.159 1.00 32.24 C ATOM 614 CG ASP A 38 -6.614 -10.245 -1.597 1.00 75.40 C ATOM 615 OD1 ASP A 38 -5.733 -11.136 -1.600 1.00 42.34 O ATOM 616 OD2 ASP A 38 -7.800 -10.469 -1.932 1.00 42.41 O ATOM 0 H ASP A 38 -4.866 -10.288 0.266 1.00 43.34 H new ATOM 0 HA ASP A 38 -4.218 -8.778 -1.927 1.00 13.44 H new ATOM 0 HB2 ASP A 38 -6.751 -8.614 -0.217 1.00 32.24 H new ATOM 0 HB3 ASP A 38 -6.629 -8.125 -1.895 1.00 32.24 H new ATOM 621 N PHE A 39 -3.863 -6.367 -1.432 1.00 23.52 N ATOM 622 CA PHE A 39 -3.598 -4.955 -1.142 1.00 53.15 C ATOM 623 C PHE A 39 -3.733 -4.073 -2.392 1.00 64.54 C ATOM 624 O PHE A 39 -3.639 -4.553 -3.527 1.00 14.04 O ATOM 625 CB PHE A 39 -2.197 -4.779 -0.531 1.00 2.01 C ATOM 626 CG PHE A 39 -1.055 -5.053 -1.486 1.00 0.34 C ATOM 627 CD1 PHE A 39 -0.600 -6.347 -1.698 1.00 73.23 C ATOM 628 CD2 PHE A 39 -0.437 -4.010 -2.167 1.00 31.13 C ATOM 629 CE1 PHE A 39 0.447 -6.593 -2.567 1.00 4.05 C ATOM 630 CE2 PHE A 39 0.610 -4.255 -3.036 1.00 2.31 C ATOM 631 CZ PHE A 39 1.052 -5.548 -3.237 1.00 3.23 C ATOM 0 H PHE A 39 -3.532 -6.680 -2.344 1.00 23.52 H new ATOM 0 HA PHE A 39 -4.350 -4.633 -0.422 1.00 53.15 H new ATOM 0 HB2 PHE A 39 -2.104 -3.760 -0.156 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -2.103 -5.444 0.328 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -1.068 -7.170 -1.179 1.00 73.23 H new ATOM 0 HD2 PHE A 39 -0.779 -2.997 -2.015 1.00 31.13 H new ATOM 0 HE1 PHE A 39 0.792 -7.604 -2.722 1.00 4.05 H new ATOM 0 HE2 PHE A 39 1.082 -3.436 -3.558 1.00 2.31 H new ATOM 0 HZ PHE A 39 1.869 -5.741 -3.917 1.00 3.23 H new ATOM 641 N LEU A 40 -3.956 -2.781 -2.164 1.00 1.33 N ATOM 642 CA LEU A 40 -3.992 -1.785 -3.240 1.00 53.01 C ATOM 643 C LEU A 40 -3.501 -0.421 -2.731 1.00 4.30 C ATOM 644 O LEU A 40 -3.563 -0.132 -1.532 1.00 4.02 O ATOM 645 CB LEU A 40 -5.414 -1.621 -3.804 1.00 3.10 C ATOM 646 CG LEU A 40 -6.412 -0.887 -2.882 1.00 14.11 C ATOM 647 CD1 LEU A 40 -7.581 -0.332 -3.683 1.00 42.14 C ATOM 648 CD2 LEU A 40 -6.917 -1.805 -1.774 1.00 14.54 C ATOM 0 H LEU A 40 -4.116 -2.393 -1.234 1.00 1.33 H new ATOM 0 HA LEU A 40 -3.334 -2.143 -4.032 1.00 53.01 H new ATOM 0 HB2 LEU A 40 -5.352 -1.080 -4.748 1.00 3.10 H new ATOM 0 HB3 LEU A 40 -5.813 -2.610 -4.029 1.00 3.10 H new ATOM 0 HG LEU A 40 -5.883 -0.054 -2.418 1.00 14.11 H new ATOM 0 HD11 LEU A 40 -8.271 0.181 -3.012 1.00 42.14 H new ATOM 0 HD12 LEU A 40 -7.210 0.371 -4.429 1.00 42.14 H new ATOM 0 HD13 LEU A 40 -8.101 -1.150 -4.182 1.00 42.14 H new ATOM 0 HD21 LEU A 40 -7.618 -1.260 -1.141 1.00 14.54 H new ATOM 0 HD22 LEU A 40 -7.420 -2.665 -2.215 1.00 14.54 H new ATOM 0 HD23 LEU A 40 -6.075 -2.146 -1.172 1.00 14.54 H new ATOM 660 N VAL A 41 -3.015 0.414 -3.644 1.00 31.34 N ATOM 661 CA VAL A 41 -2.647 1.793 -3.313 1.00 12.33 C ATOM 662 C VAL A 41 -3.631 2.786 -3.954 1.00 44.31 C ATOM 663 O VAL A 41 -3.938 2.696 -5.147 1.00 42.12 O ATOM 664 CB VAL A 41 -1.200 2.126 -3.761 1.00 33.11 C ATOM 665 CG1 VAL A 41 -0.868 3.597 -3.501 1.00 75.45 C ATOM 666 CG2 VAL A 41 -0.202 1.210 -3.051 1.00 51.54 C ATOM 0 H VAL A 41 -2.865 0.163 -4.621 1.00 31.34 H new ATOM 0 HA VAL A 41 -2.696 1.887 -2.228 1.00 12.33 H new ATOM 0 HB VAL A 41 -1.126 1.954 -4.835 1.00 33.11 H new ATOM 0 HG11 VAL A 41 0.152 3.802 -3.825 1.00 75.45 H new ATOM 0 HG12 VAL A 41 -1.559 4.230 -4.057 1.00 75.45 H new ATOM 0 HG13 VAL A 41 -0.960 3.808 -2.436 1.00 75.45 H new ATOM 0 HG21 VAL A 41 0.810 1.454 -3.374 1.00 51.54 H new ATOM 0 HG22 VAL A 41 -0.282 1.351 -1.973 1.00 51.54 H new ATOM 0 HG23 VAL A 41 -0.421 0.171 -3.299 1.00 51.54 H new ATOM 676 N ARG A 42 -4.129 3.718 -3.153 1.00 13.14 N ATOM 677 CA ARG A 42 -5.090 4.718 -3.626 1.00 64.51 C ATOM 678 C ARG A 42 -4.630 6.135 -3.262 1.00 65.13 C ATOM 679 O ARG A 42 -3.651 6.314 -2.539 1.00 52.35 O ATOM 680 CB ARG A 42 -6.472 4.465 -3.000 1.00 23.01 C ATOM 681 CG ARG A 42 -6.509 4.737 -1.495 1.00 20.30 C ATOM 682 CD ARG A 42 -7.922 4.679 -0.927 1.00 73.32 C ATOM 683 NE ARG A 42 -7.959 5.135 0.465 1.00 74.00 N ATOM 684 CZ ARG A 42 -8.676 6.146 0.890 1.00 35.21 C ATOM 685 NH1 ARG A 42 -9.453 6.792 0.080 1.00 3.45 N ATOM 686 NH2 ARG A 42 -8.613 6.514 2.128 1.00 73.44 N ATOM 0 H ARG A 42 -3.885 3.806 -2.167 1.00 13.14 H new ATOM 0 HA ARG A 42 -5.154 4.632 -4.711 1.00 64.51 H new ATOM 0 HB2 ARG A 42 -7.210 5.096 -3.495 1.00 23.01 H new ATOM 0 HB3 ARG A 42 -6.763 3.431 -3.183 1.00 23.01 H new ATOM 0 HG2 ARG A 42 -5.884 4.007 -0.981 1.00 20.30 H new ATOM 0 HG3 ARG A 42 -6.081 5.719 -1.296 1.00 20.30 H new ATOM 0 HD2 ARG A 42 -8.584 5.298 -1.532 1.00 73.32 H new ATOM 0 HD3 ARG A 42 -8.298 3.658 -0.987 1.00 73.32 H new ATOM 0 HE ARG A 42 -7.390 4.633 1.147 1.00 74.00 H new ATOM 0 HH11 ARG A 42 -9.511 6.515 -0.900 1.00 3.45 H new ATOM 0 HH12 ARG A 42 -10.007 7.577 0.422 1.00 3.45 H new ATOM 0 HH21 ARG A 42 -8.004 6.017 2.777 1.00 73.44 H new ATOM 0 HH22 ARG A 42 -9.173 7.302 2.455 1.00 73.44 H new ATOM 700 N GLU A 43 -5.346 7.140 -3.755 1.00 14.22 N ATOM 701 CA GLU A 43 -5.108 8.530 -3.344 1.00 71.40 C ATOM 702 C GLU A 43 -6.354 9.108 -2.654 1.00 64.45 C ATOM 703 O GLU A 43 -7.485 8.814 -3.044 1.00 52.22 O ATOM 704 CB GLU A 43 -4.729 9.396 -4.553 1.00 50.54 C ATOM 705 CG GLU A 43 -4.249 10.796 -4.173 1.00 44.11 C ATOM 706 CD GLU A 43 -4.003 11.683 -5.382 1.00 30.12 C ATOM 707 OE1 GLU A 43 -3.157 11.332 -6.224 1.00 11.52 O ATOM 708 OE2 GLU A 43 -4.659 12.742 -5.493 1.00 72.14 O ATOM 0 H GLU A 43 -6.095 7.025 -4.438 1.00 14.22 H new ATOM 0 HA GLU A 43 -4.279 8.537 -2.637 1.00 71.40 H new ATOM 0 HB2 GLU A 43 -3.945 8.893 -5.119 1.00 50.54 H new ATOM 0 HB3 GLU A 43 -5.592 9.483 -5.213 1.00 50.54 H new ATOM 0 HG2 GLU A 43 -4.991 11.267 -3.528 1.00 44.11 H new ATOM 0 HG3 GLU A 43 -3.329 10.715 -3.594 1.00 44.11 H new ATOM 715 N SER A 44 -6.141 9.927 -1.629 1.00 51.45 N ATOM 716 CA SER A 44 -7.247 10.527 -0.864 1.00 41.23 C ATOM 717 C SER A 44 -7.915 11.673 -1.638 1.00 34.04 C ATOM 718 O SER A 44 -7.239 12.460 -2.300 1.00 31.51 O ATOM 719 CB SER A 44 -6.735 11.052 0.486 1.00 31.11 C ATOM 720 OG SER A 44 -6.111 10.021 1.235 1.00 54.23 O ATOM 0 H SER A 44 -5.213 10.196 -1.302 1.00 51.45 H new ATOM 0 HA SER A 44 -7.991 9.748 -0.698 1.00 41.23 H new ATOM 0 HB2 SER A 44 -6.026 11.863 0.318 1.00 31.11 H new ATOM 0 HB3 SER A 44 -7.566 11.467 1.056 1.00 31.11 H new ATOM 0 HG SER A 44 -5.186 9.909 0.930 1.00 54.23 H new ATOM 726 N HIS A 45 -9.243 11.764 -1.552 1.00 41.31 N ATOM 727 CA HIS A 45 -9.988 12.843 -2.219 1.00 22.02 C ATOM 728 C HIS A 45 -9.919 14.162 -1.430 1.00 21.44 C ATOM 729 O HIS A 45 -9.618 15.214 -1.993 1.00 52.20 O ATOM 730 CB HIS A 45 -11.451 12.436 -2.435 1.00 41.43 C ATOM 731 CG HIS A 45 -11.657 11.542 -3.621 1.00 13.01 C ATOM 732 ND1 HIS A 45 -12.058 12.015 -4.851 1.00 24.41 N ATOM 733 CD2 HIS A 45 -11.516 10.203 -3.767 1.00 44.13 C ATOM 734 CE1 HIS A 45 -12.155 11.014 -5.698 1.00 21.25 C ATOM 735 NE2 HIS A 45 -11.832 9.904 -5.070 1.00 44.44 N ATOM 0 H HIS A 45 -9.826 11.109 -1.031 1.00 41.31 H new ATOM 0 HA HIS A 45 -9.516 13.009 -3.187 1.00 22.02 H new ATOM 0 HB2 HIS A 45 -11.814 11.929 -1.541 1.00 41.43 H new ATOM 0 HB3 HIS A 45 -12.055 13.335 -2.559 1.00 41.43 H new ATOM 0 HD2 HIS A 45 -11.212 9.502 -3.003 1.00 44.13 H new ATOM 0 HE1 HIS A 45 -12.450 11.090 -6.734 1.00 21.25 H new ATOM 0 HE2 HIS A 45 -11.818 8.972 -5.484 1.00 44.44 H new ATOM 744 N GLY A 46 -10.200 14.097 -0.132 1.00 73.04 N ATOM 745 CA GLY A 46 -10.162 15.294 0.704 1.00 23.54 C ATOM 746 C GLY A 46 -8.772 15.920 0.796 1.00 3.32 C ATOM 747 O GLY A 46 -8.637 17.117 1.063 1.00 21.11 O ATOM 0 H GLY A 46 -10.454 13.240 0.360 1.00 73.04 H new ATOM 0 HA2 GLY A 46 -10.859 16.030 0.305 1.00 23.54 H new ATOM 0 HA3 GLY A 46 -10.506 15.040 1.707 1.00 23.54 H new ATOM 751 N LYS A 47 -7.742 15.111 0.579 1.00 3.01 N ATOM 752 CA LYS A 47 -6.354 15.584 0.599 1.00 62.33 C ATOM 753 C LYS A 47 -5.622 15.122 -0.678 1.00 5.34 C ATOM 754 O LYS A 47 -5.071 14.019 -0.724 1.00 25.13 O ATOM 755 CB LYS A 47 -5.650 15.058 1.867 1.00 23.13 C ATOM 756 CG LYS A 47 -4.483 15.915 2.374 1.00 73.32 C ATOM 757 CD LYS A 47 -3.311 15.968 1.396 1.00 75.40 C ATOM 758 CE LYS A 47 -2.065 16.563 2.044 1.00 60.11 C ATOM 759 NZ LYS A 47 -1.616 15.768 3.219 1.00 25.24 N ATOM 0 H LYS A 47 -7.839 14.114 0.385 1.00 3.01 H new ATOM 0 HA LYS A 47 -6.336 16.674 0.621 1.00 62.33 H new ATOM 0 HB2 LYS A 47 -6.389 14.973 2.664 1.00 23.13 H new ATOM 0 HB3 LYS A 47 -5.280 14.053 1.666 1.00 23.13 H new ATOM 0 HG2 LYS A 47 -4.838 16.928 2.561 1.00 73.32 H new ATOM 0 HG3 LYS A 47 -4.135 15.518 3.328 1.00 73.32 H new ATOM 0 HD2 LYS A 47 -3.090 14.963 1.037 1.00 75.40 H new ATOM 0 HD3 LYS A 47 -3.589 16.563 0.526 1.00 75.40 H new ATOM 0 HE2 LYS A 47 -1.261 16.610 1.309 1.00 60.11 H new ATOM 0 HE3 LYS A 47 -2.272 17.587 2.356 1.00 60.11 H new ATOM 0 HZ1 LYS A 47 -1.804 16.302 4.092 1.00 25.24 H new ATOM 0 HZ2 LYS A 47 -2.134 14.866 3.247 1.00 25.24 H new ATOM 0 HZ3 LYS A 47 -0.596 15.579 3.141 1.00 25.24 H new ATOM 773 N PRO A 48 -5.632 15.949 -1.745 1.00 31.44 N ATOM 774 CA PRO A 48 -5.001 15.595 -3.031 1.00 3.43 C ATOM 775 C PRO A 48 -3.495 15.308 -2.897 1.00 41.20 C ATOM 776 O PRO A 48 -2.760 16.063 -2.261 1.00 65.45 O ATOM 777 CB PRO A 48 -5.248 16.834 -3.914 1.00 51.23 C ATOM 778 CG PRO A 48 -5.562 17.937 -2.959 1.00 45.32 C ATOM 779 CD PRO A 48 -6.250 17.287 -1.788 1.00 22.13 C ATOM 0 HA PRO A 48 -5.419 14.677 -3.444 1.00 3.43 H new ATOM 0 HB2 PRO A 48 -4.370 17.071 -4.515 1.00 51.23 H new ATOM 0 HB3 PRO A 48 -6.072 16.666 -4.607 1.00 51.23 H new ATOM 0 HG2 PRO A 48 -4.654 18.450 -2.643 1.00 45.32 H new ATOM 0 HG3 PRO A 48 -6.205 18.685 -3.424 1.00 45.32 H new ATOM 0 HD2 PRO A 48 -6.083 17.839 -0.863 1.00 22.13 H new ATOM 0 HD3 PRO A 48 -7.329 17.229 -1.934 1.00 22.13 H new ATOM 787 N GLY A 49 -3.045 14.207 -3.496 1.00 25.13 N ATOM 788 CA GLY A 49 -1.636 13.824 -3.422 1.00 41.44 C ATOM 789 C GLY A 49 -1.309 12.928 -2.228 1.00 12.54 C ATOM 790 O GLY A 49 -0.219 12.365 -2.148 1.00 22.32 O ATOM 0 H GLY A 49 -3.630 13.568 -4.034 1.00 25.13 H new ATOM 0 HA2 GLY A 49 -1.360 13.307 -4.341 1.00 41.44 H new ATOM 0 HA3 GLY A 49 -1.025 14.725 -3.368 1.00 41.44 H new ATOM 794 N GLU A 50 -2.250 12.797 -1.294 1.00 14.44 N ATOM 795 CA GLU A 50 -2.047 11.953 -0.109 1.00 53.11 C ATOM 796 C GLU A 50 -2.420 10.492 -0.398 1.00 52.12 C ATOM 797 O GLU A 50 -3.596 10.115 -0.370 1.00 2.32 O ATOM 798 CB GLU A 50 -2.865 12.492 1.073 1.00 3.35 C ATOM 799 CG GLU A 50 -2.607 11.781 2.397 1.00 52.03 C ATOM 800 CD GLU A 50 -3.320 12.450 3.563 1.00 31.03 C ATOM 801 OE1 GLU A 50 -2.755 13.409 4.141 1.00 75.03 O ATOM 802 OE2 GLU A 50 -4.451 12.036 3.900 1.00 41.41 O ATOM 0 H GLU A 50 -3.158 13.261 -1.331 1.00 14.44 H new ATOM 0 HA GLU A 50 -0.989 11.983 0.151 1.00 53.11 H new ATOM 0 HB2 GLU A 50 -2.646 13.553 1.196 1.00 3.35 H new ATOM 0 HB3 GLU A 50 -3.925 12.411 0.832 1.00 3.35 H new ATOM 0 HG2 GLU A 50 -2.936 10.745 2.320 1.00 52.03 H new ATOM 0 HG3 GLU A 50 -1.535 11.762 2.593 1.00 52.03 H new ATOM 809 N TYR A 51 -1.410 9.680 -0.690 1.00 13.30 N ATOM 810 CA TYR A 51 -1.617 8.268 -1.021 1.00 64.54 C ATOM 811 C TYR A 51 -1.817 7.396 0.229 1.00 34.42 C ATOM 812 O TYR A 51 -1.116 7.541 1.232 1.00 13.55 O ATOM 813 CB TYR A 51 -0.439 7.742 -1.851 1.00 44.33 C ATOM 814 CG TYR A 51 -0.418 8.269 -3.274 1.00 23.25 C ATOM 815 CD1 TYR A 51 0.064 9.541 -3.567 1.00 15.32 C ATOM 816 CD2 TYR A 51 -0.894 7.492 -4.323 1.00 41.03 C ATOM 817 CE1 TYR A 51 0.072 10.019 -4.864 1.00 72.44 C ATOM 818 CE2 TYR A 51 -0.888 7.966 -5.617 1.00 23.54 C ATOM 819 CZ TYR A 51 -0.406 9.225 -5.885 1.00 55.15 C ATOM 820 OH TYR A 51 -0.409 9.691 -7.179 1.00 63.33 O ATOM 0 H TYR A 51 -0.433 9.974 -0.705 1.00 13.30 H new ATOM 0 HA TYR A 51 -2.534 8.205 -1.607 1.00 64.54 H new ATOM 0 HB2 TYR A 51 0.494 8.015 -1.357 1.00 44.33 H new ATOM 0 HB3 TYR A 51 -0.480 6.653 -1.876 1.00 44.33 H new ATOM 0 HD1 TYR A 51 0.438 10.165 -2.768 1.00 15.32 H new ATOM 0 HD2 TYR A 51 -1.274 6.502 -4.121 1.00 41.03 H new ATOM 0 HE1 TYR A 51 0.450 11.008 -5.076 1.00 72.44 H new ATOM 0 HE2 TYR A 51 -1.262 7.348 -6.420 1.00 23.54 H new ATOM 0 HH TYR A 51 -0.778 9.004 -7.773 1.00 63.33 H new ATOM 830 N VAL A 52 -2.786 6.486 0.150 1.00 55.54 N ATOM 831 CA VAL A 52 -3.105 5.578 1.255 1.00 62.00 C ATOM 832 C VAL A 52 -3.094 4.109 0.796 1.00 14.52 C ATOM 833 O VAL A 52 -3.733 3.745 -0.194 1.00 10.52 O ATOM 834 CB VAL A 52 -4.493 5.908 1.872 1.00 51.22 C ATOM 835 CG1 VAL A 52 -4.823 4.959 3.027 1.00 11.13 C ATOM 836 CG2 VAL A 52 -4.546 7.364 2.336 1.00 43.24 C ATOM 0 H VAL A 52 -3.370 6.356 -0.676 1.00 55.54 H new ATOM 0 HA VAL A 52 -2.333 5.719 2.012 1.00 62.00 H new ATOM 0 HB VAL A 52 -5.247 5.767 1.097 1.00 51.22 H new ATOM 0 HG11 VAL A 52 -5.799 5.213 3.439 1.00 11.13 H new ATOM 0 HG12 VAL A 52 -4.840 3.932 2.661 1.00 11.13 H new ATOM 0 HG13 VAL A 52 -4.065 5.055 3.804 1.00 11.13 H new ATOM 0 HG21 VAL A 52 -5.526 7.574 2.765 1.00 43.24 H new ATOM 0 HG22 VAL A 52 -3.777 7.534 3.089 1.00 43.24 H new ATOM 0 HG23 VAL A 52 -4.373 8.023 1.485 1.00 43.24 H new ATOM 846 N LEU A 53 -2.363 3.277 1.529 1.00 32.01 N ATOM 847 CA LEU A 53 -2.312 1.834 1.269 1.00 34.14 C ATOM 848 C LEU A 53 -3.449 1.105 2.002 1.00 41.24 C ATOM 849 O LEU A 53 -3.807 1.461 3.125 1.00 25.12 O ATOM 850 CB LEU A 53 -0.953 1.275 1.725 1.00 24.23 C ATOM 851 CG LEU A 53 -0.772 -0.247 1.581 1.00 14.11 C ATOM 852 CD1 LEU A 53 -0.796 -0.673 0.115 1.00 53.03 C ATOM 853 CD2 LEU A 53 0.522 -0.703 2.253 1.00 0.31 C ATOM 0 H LEU A 53 -1.790 3.577 2.318 1.00 32.01 H new ATOM 0 HA LEU A 53 -2.434 1.670 0.198 1.00 34.14 H new ATOM 0 HB2 LEU A 53 -0.168 1.771 1.155 1.00 24.23 H new ATOM 0 HB3 LEU A 53 -0.804 1.542 2.771 1.00 24.23 H new ATOM 0 HG LEU A 53 -1.611 -0.730 2.082 1.00 14.11 H new ATOM 0 HD11 LEU A 53 -0.666 -1.753 0.048 1.00 53.03 H new ATOM 0 HD12 LEU A 53 -1.752 -0.394 -0.329 1.00 53.03 H new ATOM 0 HD13 LEU A 53 0.012 -0.176 -0.422 1.00 53.03 H new ATOM 0 HD21 LEU A 53 0.630 -1.782 2.140 1.00 0.31 H new ATOM 0 HD22 LEU A 53 1.370 -0.202 1.787 1.00 0.31 H new ATOM 0 HD23 LEU A 53 0.490 -0.451 3.313 1.00 0.31 H new ATOM 865 N SER A 54 -4.032 0.098 1.360 1.00 24.11 N ATOM 866 CA SER A 54 -5.101 -0.697 1.981 1.00 54.32 C ATOM 867 C SER A 54 -4.880 -2.194 1.732 1.00 13.44 C ATOM 868 O SER A 54 -4.818 -2.636 0.588 1.00 74.10 O ATOM 869 CB SER A 54 -6.467 -0.257 1.439 1.00 2.01 C ATOM 870 OG SER A 54 -7.530 -0.892 2.130 1.00 43.41 O ATOM 0 H SER A 54 -3.788 -0.191 0.413 1.00 24.11 H new ATOM 0 HA SER A 54 -5.079 -0.527 3.057 1.00 54.32 H new ATOM 0 HB2 SER A 54 -6.565 0.824 1.533 1.00 2.01 H new ATOM 0 HB3 SER A 54 -6.531 -0.492 0.377 1.00 2.01 H new ATOM 0 HG SER A 54 -8.355 -0.379 2.003 1.00 43.41 H new ATOM 876 N VAL A 55 -4.765 -2.967 2.810 1.00 70.02 N ATOM 877 CA VAL A 55 -4.427 -4.394 2.715 1.00 32.31 C ATOM 878 C VAL A 55 -5.282 -5.257 3.666 1.00 34.42 C ATOM 879 O VAL A 55 -5.712 -4.795 4.725 1.00 11.35 O ATOM 880 CB VAL A 55 -2.922 -4.610 3.025 1.00 32.43 C ATOM 881 CG1 VAL A 55 -2.566 -4.033 4.392 1.00 1.24 C ATOM 882 CG2 VAL A 55 -2.541 -6.091 2.937 1.00 45.13 C ATOM 0 H VAL A 55 -4.900 -2.632 3.764 1.00 70.02 H new ATOM 0 HA VAL A 55 -4.642 -4.710 1.694 1.00 32.31 H new ATOM 0 HB VAL A 55 -2.345 -4.078 2.269 1.00 32.43 H new ATOM 0 HG11 VAL A 55 -1.506 -4.195 4.590 1.00 1.24 H new ATOM 0 HG12 VAL A 55 -2.778 -2.964 4.402 1.00 1.24 H new ATOM 0 HG13 VAL A 55 -3.159 -4.528 5.161 1.00 1.24 H new ATOM 0 HG21 VAL A 55 -1.480 -6.208 3.160 1.00 45.13 H new ATOM 0 HG22 VAL A 55 -3.128 -6.661 3.657 1.00 45.13 H new ATOM 0 HG23 VAL A 55 -2.743 -6.460 1.931 1.00 45.13 H new ATOM 892 N TYR A 56 -5.529 -6.508 3.275 1.00 62.23 N ATOM 893 CA TYR A 56 -6.295 -7.450 4.096 1.00 50.52 C ATOM 894 C TYR A 56 -5.356 -8.416 4.846 1.00 20.51 C ATOM 895 O TYR A 56 -4.730 -9.287 4.243 1.00 12.31 O ATOM 896 CB TYR A 56 -7.269 -8.242 3.208 1.00 74.12 C ATOM 897 CG TYR A 56 -8.295 -9.056 3.982 1.00 44.41 C ATOM 898 CD1 TYR A 56 -7.979 -10.299 4.521 1.00 40.54 C ATOM 899 CD2 TYR A 56 -9.585 -8.573 4.174 1.00 15.43 C ATOM 900 CE1 TYR A 56 -8.916 -11.032 5.223 1.00 21.31 C ATOM 901 CE2 TYR A 56 -10.527 -9.302 4.876 1.00 70.35 C ATOM 902 CZ TYR A 56 -10.187 -10.529 5.399 1.00 34.11 C ATOM 903 OH TYR A 56 -11.122 -11.256 6.098 1.00 2.24 O ATOM 0 H TYR A 56 -5.207 -6.896 2.388 1.00 62.23 H new ATOM 0 HA TYR A 56 -6.861 -6.883 4.836 1.00 50.52 H new ATOM 0 HB2 TYR A 56 -7.793 -7.547 2.552 1.00 74.12 H new ATOM 0 HB3 TYR A 56 -6.696 -8.913 2.568 1.00 74.12 H new ATOM 0 HD1 TYR A 56 -6.984 -10.698 4.388 1.00 40.54 H new ATOM 0 HD2 TYR A 56 -9.856 -7.610 3.767 1.00 15.43 H new ATOM 0 HE1 TYR A 56 -8.653 -11.996 5.633 1.00 21.31 H new ATOM 0 HE2 TYR A 56 -11.524 -8.911 5.013 1.00 70.35 H new ATOM 0 HH TYR A 56 -11.966 -10.758 6.131 1.00 2.24 H new ATOM 913 N SER A 57 -5.266 -8.262 6.167 1.00 32.43 N ATOM 914 CA SER A 57 -4.389 -9.106 6.996 1.00 33.21 C ATOM 915 C SER A 57 -5.015 -9.397 8.363 1.00 31.34 C ATOM 916 O SER A 57 -5.644 -8.525 8.964 1.00 45.52 O ATOM 917 CB SER A 57 -3.023 -8.435 7.189 1.00 30.02 C ATOM 918 OG SER A 57 -2.187 -9.187 8.058 1.00 61.34 O ATOM 0 H SER A 57 -5.789 -7.561 6.692 1.00 32.43 H new ATOM 0 HA SER A 57 -4.258 -10.052 6.471 1.00 33.21 H new ATOM 0 HB2 SER A 57 -2.534 -8.321 6.222 1.00 30.02 H new ATOM 0 HB3 SER A 57 -3.164 -7.433 7.595 1.00 30.02 H new ATOM 0 HG SER A 57 -1.325 -8.732 8.157 1.00 61.34 H new ATOM 924 N ASP A 58 -4.853 -10.637 8.835 1.00 3.14 N ATOM 925 CA ASP A 58 -5.394 -11.076 10.132 1.00 11.41 C ATOM 926 C ASP A 58 -6.921 -10.873 10.201 1.00 0.43 C ATOM 927 O ASP A 58 -7.491 -10.669 11.274 1.00 62.43 O ATOM 928 CB ASP A 58 -4.682 -10.332 11.279 1.00 30.22 C ATOM 929 CG ASP A 58 -4.789 -11.064 12.607 1.00 23.24 C ATOM 930 OD1 ASP A 58 -4.253 -12.190 12.709 1.00 11.22 O ATOM 931 OD2 ASP A 58 -5.406 -10.532 13.555 1.00 50.15 O ATOM 0 H ASP A 58 -4.345 -11.365 8.333 1.00 3.14 H new ATOM 0 HA ASP A 58 -5.206 -12.144 10.240 1.00 11.41 H new ATOM 0 HB2 ASP A 58 -3.630 -10.201 11.024 1.00 30.22 H new ATOM 0 HB3 ASP A 58 -5.111 -9.335 11.382 1.00 30.22 H new ATOM 936 N GLY A 59 -7.581 -10.966 9.045 1.00 22.11 N ATOM 937 CA GLY A 59 -9.022 -10.739 8.970 1.00 63.32 C ATOM 938 C GLY A 59 -9.410 -9.273 9.166 1.00 42.01 C ATOM 939 O GLY A 59 -10.510 -8.965 9.630 1.00 70.41 O ATOM 0 H GLY A 59 -7.142 -11.196 8.153 1.00 22.11 H new ATOM 0 HA2 GLY A 59 -9.387 -11.079 8.001 1.00 63.32 H new ATOM 0 HA3 GLY A 59 -9.519 -11.345 9.728 1.00 63.32 H new ATOM 943 N GLN A 60 -8.497 -8.370 8.817 1.00 63.21 N ATOM 944 CA GLN A 60 -8.706 -6.925 8.986 1.00 5.33 C ATOM 945 C GLN A 60 -8.286 -6.155 7.726 1.00 65.11 C ATOM 946 O GLN A 60 -7.296 -6.506 7.085 1.00 53.41 O ATOM 947 CB GLN A 60 -7.866 -6.421 10.173 1.00 3.11 C ATOM 948 CG GLN A 60 -8.163 -7.122 11.498 1.00 1.05 C ATOM 949 CD GLN A 60 -7.090 -6.883 12.550 1.00 23.04 C ATOM 950 OE1 GLN A 60 -6.421 -5.854 12.559 1.00 53.43 O ATOM 951 NE2 GLN A 60 -6.917 -7.831 13.449 1.00 22.31 N ATOM 0 H GLN A 60 -7.594 -8.613 8.410 1.00 63.21 H new ATOM 0 HA GLN A 60 -9.767 -6.755 9.167 1.00 5.33 H new ATOM 0 HB2 GLN A 60 -6.810 -6.550 9.936 1.00 3.11 H new ATOM 0 HB3 GLN A 60 -8.037 -5.351 10.295 1.00 3.11 H new ATOM 0 HG2 GLN A 60 -9.123 -6.774 11.880 1.00 1.05 H new ATOM 0 HG3 GLN A 60 -8.260 -8.193 11.322 1.00 1.05 H new ATOM 0 HE21 GLN A 60 -7.488 -8.675 13.416 1.00 22.31 H new ATOM 0 HE22 GLN A 60 -6.212 -7.720 14.178 1.00 22.31 H new ATOM 960 N ARG A 61 -9.030 -5.110 7.364 1.00 42.25 N ATOM 961 CA ARG A 61 -8.574 -4.188 6.321 1.00 51.20 C ATOM 962 C ARG A 61 -7.739 -3.060 6.949 1.00 54.43 C ATOM 963 O ARG A 61 -8.280 -2.124 7.545 1.00 22.43 O ATOM 964 CB ARG A 61 -9.754 -3.590 5.531 1.00 40.31 C ATOM 965 CG ARG A 61 -10.343 -4.502 4.451 1.00 2.43 C ATOM 966 CD ARG A 61 -11.243 -5.596 5.019 1.00 25.31 C ATOM 967 NE ARG A 61 -11.888 -6.368 3.953 1.00 74.04 N ATOM 968 CZ ARG A 61 -13.144 -6.731 3.958 1.00 12.32 C ATOM 969 NH1 ARG A 61 -13.914 -6.440 4.957 1.00 32.14 N ATOM 970 NH2 ARG A 61 -13.632 -7.388 2.954 1.00 4.43 N ATOM 0 H ARG A 61 -9.938 -4.882 7.770 1.00 42.25 H new ATOM 0 HA ARG A 61 -7.959 -4.755 5.622 1.00 51.20 H new ATOM 0 HB2 ARG A 61 -10.545 -3.327 6.233 1.00 40.31 H new ATOM 0 HB3 ARG A 61 -9.424 -2.663 5.061 1.00 40.31 H new ATOM 0 HG2 ARG A 61 -10.915 -3.899 3.746 1.00 2.43 H new ATOM 0 HG3 ARG A 61 -9.530 -4.963 3.890 1.00 2.43 H new ATOM 0 HD2 ARG A 61 -10.654 -6.264 5.648 1.00 25.31 H new ATOM 0 HD3 ARG A 61 -12.005 -5.147 5.657 1.00 25.31 H new ATOM 0 HE ARG A 61 -11.318 -6.641 3.152 1.00 74.04 H new ATOM 0 HH11 ARG A 61 -13.543 -5.921 5.753 1.00 32.14 H new ATOM 0 HH12 ARG A 61 -14.892 -6.729 4.948 1.00 32.14 H new ATOM 0 HH21 ARG A 61 -13.036 -7.622 2.160 1.00 4.43 H new ATOM 0 HH22 ARG A 61 -14.612 -7.671 2.958 1.00 4.43 H new ATOM 984 N ARG A 62 -6.421 -3.155 6.812 1.00 43.12 N ATOM 985 CA ARG A 62 -5.499 -2.149 7.352 1.00 30.33 C ATOM 986 C ARG A 62 -5.283 -1.009 6.351 1.00 11.42 C ATOM 987 O ARG A 62 -5.039 -1.249 5.169 1.00 42.20 O ATOM 988 CB ARG A 62 -4.152 -2.804 7.694 1.00 24.43 C ATOM 989 CG ARG A 62 -4.208 -3.778 8.868 1.00 54.11 C ATOM 990 CD ARG A 62 -4.368 -3.050 10.201 1.00 4.22 C ATOM 991 NE ARG A 62 -4.501 -3.980 11.321 1.00 24.20 N ATOM 992 CZ ARG A 62 -3.976 -3.799 12.504 1.00 33.52 C ATOM 993 NH1 ARG A 62 -3.203 -2.794 12.744 1.00 71.11 N ATOM 994 NH2 ARG A 62 -4.211 -4.649 13.446 1.00 62.23 N ATOM 0 H ARG A 62 -5.959 -3.924 6.328 1.00 43.12 H new ATOM 0 HA ARG A 62 -5.940 -1.732 8.257 1.00 30.33 H new ATOM 0 HB2 ARG A 62 -3.785 -3.334 6.815 1.00 24.43 H new ATOM 0 HB3 ARG A 62 -3.428 -2.022 7.920 1.00 24.43 H new ATOM 0 HG2 ARG A 62 -5.040 -4.468 8.728 1.00 54.11 H new ATOM 0 HG3 ARG A 62 -3.297 -4.377 8.888 1.00 54.11 H new ATOM 0 HD2 ARG A 62 -3.506 -2.404 10.367 1.00 4.22 H new ATOM 0 HD3 ARG A 62 -5.246 -2.405 10.159 1.00 4.22 H new ATOM 0 HE ARG A 62 -5.042 -4.831 11.168 1.00 24.20 H new ATOM 0 HH11 ARG A 62 -2.993 -2.124 12.004 1.00 71.11 H new ATOM 0 HH12 ARG A 62 -2.802 -2.669 13.674 1.00 71.11 H new ATOM 0 HH21 ARG A 62 -4.805 -5.459 13.266 1.00 62.23 H new ATOM 0 HH22 ARG A 62 -3.803 -4.511 14.371 1.00 62.23 H new ATOM 1008 N HIS A 63 -5.373 0.232 6.825 1.00 65.03 N ATOM 1009 CA HIS A 63 -5.159 1.398 5.962 1.00 50.22 C ATOM 1010 C HIS A 63 -3.959 2.224 6.455 1.00 3.30 C ATOM 1011 O HIS A 63 -3.981 2.768 7.561 1.00 33.03 O ATOM 1012 CB HIS A 63 -6.425 2.268 5.927 1.00 65.41 C ATOM 1013 CG HIS A 63 -7.690 1.495 5.684 1.00 54.01 C ATOM 1014 ND1 HIS A 63 -7.913 0.731 4.555 1.00 70.34 N ATOM 1015 CD2 HIS A 63 -8.811 1.370 6.441 1.00 14.11 C ATOM 1016 CE1 HIS A 63 -9.110 0.182 4.626 1.00 65.02 C ATOM 1017 NE2 HIS A 63 -9.673 0.552 5.756 1.00 20.44 N ATOM 0 H HIS A 63 -5.591 0.458 7.795 1.00 65.03 H new ATOM 0 HA HIS A 63 -4.943 1.047 4.953 1.00 50.22 H new ATOM 0 HB2 HIS A 63 -6.513 2.802 6.873 1.00 65.41 H new ATOM 0 HB3 HIS A 63 -6.315 3.020 5.146 1.00 65.41 H new ATOM 0 HD1 HIS A 63 -7.254 0.610 3.786 1.00 70.34 H new ATOM 0 HD2 HIS A 63 -8.990 1.829 7.402 1.00 14.11 H new ATOM 0 HE1 HIS A 63 -9.553 -0.463 3.882 1.00 65.02 H new ATOM 1026 N PHE A 64 -2.920 2.323 5.626 1.00 12.41 N ATOM 1027 CA PHE A 64 -1.685 3.034 5.992 1.00 11.23 C ATOM 1028 C PHE A 64 -1.514 4.319 5.168 1.00 33.23 C ATOM 1029 O PHE A 64 -1.544 4.285 3.939 1.00 23.54 O ATOM 1030 CB PHE A 64 -0.467 2.123 5.776 1.00 11.40 C ATOM 1031 CG PHE A 64 -0.543 0.810 6.517 1.00 54.24 C ATOM 1032 CD1 PHE A 64 -0.349 0.760 7.890 1.00 44.52 C ATOM 1033 CD2 PHE A 64 -0.811 -0.373 5.839 1.00 54.22 C ATOM 1034 CE1 PHE A 64 -0.420 -0.440 8.571 1.00 54.30 C ATOM 1035 CE2 PHE A 64 -0.881 -1.575 6.518 1.00 25.53 C ATOM 1036 CZ PHE A 64 -0.687 -1.609 7.884 1.00 23.33 C ATOM 0 H PHE A 64 -2.905 1.919 4.690 1.00 12.41 H new ATOM 0 HA PHE A 64 -1.759 3.307 7.045 1.00 11.23 H new ATOM 0 HB2 PHE A 64 -0.362 1.921 4.710 1.00 11.40 H new ATOM 0 HB3 PHE A 64 0.431 2.654 6.090 1.00 11.40 H new ATOM 0 HD1 PHE A 64 -0.140 1.670 8.433 1.00 44.52 H new ATOM 0 HD2 PHE A 64 -0.966 -0.353 4.770 1.00 54.22 H new ATOM 0 HE1 PHE A 64 -0.267 -0.464 9.640 1.00 54.30 H new ATOM 0 HE2 PHE A 64 -1.088 -2.488 5.979 1.00 25.53 H new ATOM 0 HZ PHE A 64 -0.744 -2.548 8.415 1.00 23.33 H new ATOM 1046 N ILE A 65 -1.332 5.447 5.846 1.00 33.54 N ATOM 1047 CA ILE A 65 -1.110 6.731 5.167 1.00 53.50 C ATOM 1048 C ILE A 65 0.387 6.954 4.899 1.00 14.43 C ATOM 1049 O ILE A 65 1.216 6.746 5.782 1.00 60.40 O ATOM 1050 CB ILE A 65 -1.660 7.911 6.012 1.00 11.25 C ATOM 1051 CG1 ILE A 65 -3.150 7.689 6.330 1.00 33.55 C ATOM 1052 CG2 ILE A 65 -1.452 9.241 5.284 1.00 55.51 C ATOM 1053 CD1 ILE A 65 -3.750 8.761 7.215 1.00 10.52 C ATOM 0 H ILE A 65 -1.333 5.505 6.864 1.00 33.54 H new ATOM 0 HA ILE A 65 -1.644 6.695 4.218 1.00 53.50 H new ATOM 0 HB ILE A 65 -1.109 7.952 6.951 1.00 11.25 H new ATOM 0 HG12 ILE A 65 -3.709 7.647 5.395 1.00 33.55 H new ATOM 0 HG13 ILE A 65 -3.268 6.721 6.816 1.00 33.55 H new ATOM 0 HG21 ILE A 65 -1.845 10.055 5.894 1.00 55.51 H new ATOM 0 HG22 ILE A 65 -0.387 9.398 5.111 1.00 55.51 H new ATOM 0 HG23 ILE A 65 -1.976 9.218 4.328 1.00 55.51 H new ATOM 0 HD11 ILE A 65 -4.801 8.537 7.396 1.00 10.52 H new ATOM 0 HD12 ILE A 65 -3.217 8.789 8.165 1.00 10.52 H new ATOM 0 HD13 ILE A 65 -3.665 9.729 6.722 1.00 10.52 H new ATOM 1065 N ILE A 66 0.725 7.371 3.679 1.00 41.22 N ATOM 1066 CA ILE A 66 2.124 7.596 3.299 1.00 41.13 C ATOM 1067 C ILE A 66 2.599 9.014 3.667 1.00 54.03 C ATOM 1068 O ILE A 66 2.087 10.008 3.147 1.00 12.01 O ATOM 1069 CB ILE A 66 2.336 7.377 1.777 1.00 34.52 C ATOM 1070 CG1 ILE A 66 1.909 5.954 1.375 1.00 2.51 C ATOM 1071 CG2 ILE A 66 3.792 7.637 1.393 1.00 11.42 C ATOM 1072 CD1 ILE A 66 2.120 5.643 -0.093 1.00 45.11 C ATOM 0 H ILE A 66 0.052 7.560 2.936 1.00 41.22 H new ATOM 0 HA ILE A 66 2.714 6.870 3.859 1.00 41.13 H new ATOM 0 HB ILE A 66 1.712 8.087 1.235 1.00 34.52 H new ATOM 0 HG12 ILE A 66 2.468 5.235 1.973 1.00 2.51 H new ATOM 0 HG13 ILE A 66 0.855 5.819 1.617 1.00 2.51 H new ATOM 0 HG21 ILE A 66 3.920 7.478 0.322 1.00 11.42 H new ATOM 0 HG22 ILE A 66 4.056 8.665 1.641 1.00 11.42 H new ATOM 0 HG23 ILE A 66 4.440 6.954 1.941 1.00 11.42 H new ATOM 0 HD11 ILE A 66 1.796 4.623 -0.299 1.00 45.11 H new ATOM 0 HD12 ILE A 66 1.539 6.338 -0.699 1.00 45.11 H new ATOM 0 HD13 ILE A 66 3.177 5.744 -0.338 1.00 45.11 H new ATOM 1084 N GLN A 67 3.580 9.101 4.564 1.00 55.04 N ATOM 1085 CA GLN A 67 4.185 10.389 4.921 1.00 24.01 C ATOM 1086 C GLN A 67 5.351 10.726 3.980 1.00 4.20 C ATOM 1087 O GLN A 67 6.359 10.017 3.935 1.00 42.11 O ATOM 1088 CB GLN A 67 4.673 10.390 6.380 1.00 73.22 C ATOM 1089 CG GLN A 67 3.551 10.259 7.414 1.00 24.31 C ATOM 1090 CD GLN A 67 2.913 8.881 7.426 1.00 4.14 C ATOM 1091 OE1 GLN A 67 3.571 7.879 7.177 1.00 24.23 O ATOM 1092 NE2 GLN A 67 1.624 8.818 7.695 1.00 33.22 N ATOM 0 H GLN A 67 3.974 8.299 5.057 1.00 55.04 H new ATOM 0 HA GLN A 67 3.414 11.152 4.814 1.00 24.01 H new ATOM 0 HB2 GLN A 67 5.377 9.569 6.517 1.00 73.22 H new ATOM 0 HB3 GLN A 67 5.220 11.314 6.568 1.00 73.22 H new ATOM 0 HG2 GLN A 67 3.950 10.477 8.405 1.00 24.31 H new ATOM 0 HG3 GLN A 67 2.785 11.006 7.207 1.00 24.31 H new ATOM 0 HE21 GLN A 67 1.103 9.671 7.899 1.00 33.22 H new ATOM 0 HE22 GLN A 67 1.147 7.916 7.700 1.00 33.22 H new ATOM 1101 N TYR A 68 5.204 11.807 3.222 1.00 51.31 N ATOM 1102 CA TYR A 68 6.259 12.266 2.316 1.00 71.41 C ATOM 1103 C TYR A 68 7.332 13.043 3.099 1.00 25.03 C ATOM 1104 O TYR A 68 7.149 14.216 3.429 1.00 12.14 O ATOM 1105 CB TYR A 68 5.646 13.136 1.206 1.00 1.13 C ATOM 1106 CG TYR A 68 6.621 13.551 0.117 1.00 35.32 C ATOM 1107 CD1 TYR A 68 7.303 12.599 -0.634 1.00 1.50 C ATOM 1108 CD2 TYR A 68 6.850 14.895 -0.170 1.00 42.33 C ATOM 1109 CE1 TYR A 68 8.181 12.971 -1.633 1.00 64.25 C ATOM 1110 CE2 TYR A 68 7.729 15.272 -1.168 1.00 13.33 C ATOM 1111 CZ TYR A 68 8.391 14.307 -1.896 1.00 60.23 C ATOM 1112 OH TYR A 68 9.262 14.679 -2.894 1.00 12.23 O ATOM 0 H TYR A 68 4.364 12.385 3.215 1.00 51.31 H new ATOM 0 HA TYR A 68 6.739 11.404 1.854 1.00 71.41 H new ATOM 0 HB2 TYR A 68 4.821 12.590 0.748 1.00 1.13 H new ATOM 0 HB3 TYR A 68 5.223 14.033 1.658 1.00 1.13 H new ATOM 0 HD1 TYR A 68 7.143 11.550 -0.432 1.00 1.50 H new ATOM 0 HD2 TYR A 68 6.332 15.655 0.397 1.00 42.33 H new ATOM 0 HE1 TYR A 68 8.701 12.217 -2.206 1.00 64.25 H new ATOM 0 HE2 TYR A 68 7.896 16.318 -1.376 1.00 13.33 H new ATOM 0 HH TYR A 68 9.296 15.657 -2.951 1.00 12.23 H new ATOM 1122 N VAL A 69 8.433 12.369 3.420 1.00 31.00 N ATOM 1123 CA VAL A 69 9.495 12.954 4.252 1.00 41.55 C ATOM 1124 C VAL A 69 10.865 12.883 3.558 1.00 75.42 C ATOM 1125 O VAL A 69 11.307 11.807 3.150 1.00 74.33 O ATOM 1126 CB VAL A 69 9.574 12.230 5.625 1.00 42.22 C ATOM 1127 CG1 VAL A 69 10.674 12.823 6.500 1.00 42.23 C ATOM 1128 CG2 VAL A 69 8.224 12.280 6.346 1.00 63.35 C ATOM 0 H VAL A 69 8.619 11.413 3.118 1.00 31.00 H new ATOM 0 HA VAL A 69 9.242 14.003 4.406 1.00 41.55 H new ATOM 0 HB VAL A 69 9.823 11.186 5.436 1.00 42.22 H new ATOM 0 HG11 VAL A 69 10.704 12.296 7.453 1.00 42.23 H new ATOM 0 HG12 VAL A 69 11.635 12.719 5.997 1.00 42.23 H new ATOM 0 HG13 VAL A 69 10.469 13.879 6.676 1.00 42.23 H new ATOM 0 HG21 VAL A 69 8.304 11.767 7.304 1.00 63.35 H new ATOM 0 HG22 VAL A 69 7.939 13.319 6.513 1.00 63.35 H new ATOM 0 HG23 VAL A 69 7.466 11.790 5.734 1.00 63.35 H new ATOM 1138 N ASP A 70 11.526 14.040 3.418 1.00 31.44 N ATOM 1139 CA ASP A 70 12.853 14.120 2.784 1.00 53.20 C ATOM 1140 C ASP A 70 12.868 13.462 1.391 1.00 51.45 C ATOM 1141 O ASP A 70 13.767 12.683 1.064 1.00 4.41 O ATOM 1142 CB ASP A 70 13.918 13.489 3.690 1.00 40.31 C ATOM 1143 CG ASP A 70 14.179 14.315 4.935 1.00 62.34 C ATOM 1144 OD1 ASP A 70 15.050 15.209 4.891 1.00 4.40 O ATOM 1145 OD2 ASP A 70 13.527 14.070 5.970 1.00 61.32 O ATOM 0 H ASP A 70 11.163 14.938 3.736 1.00 31.44 H new ATOM 0 HA ASP A 70 13.086 15.176 2.646 1.00 53.20 H new ATOM 0 HB2 ASP A 70 13.597 12.489 3.981 1.00 40.31 H new ATOM 0 HB3 ASP A 70 14.847 13.376 3.131 1.00 40.31 H new ATOM 1150 N ASN A 71 11.862 13.792 0.577 1.00 41.25 N ATOM 1151 CA ASN A 71 11.738 13.254 -0.788 1.00 14.25 C ATOM 1152 C ASN A 71 11.536 11.725 -0.803 1.00 33.21 C ATOM 1153 O ASN A 71 11.657 11.083 -1.848 1.00 30.40 O ATOM 1154 CB ASN A 71 12.970 13.640 -1.625 1.00 0.33 C ATOM 1155 CG ASN A 71 13.080 15.142 -1.829 1.00 62.02 C ATOM 1156 OD1 ASN A 71 12.080 15.846 -1.920 1.00 4.24 O ATOM 1157 ND2 ASN A 71 14.293 15.650 -1.892 1.00 72.03 N ATOM 0 H ASN A 71 11.114 14.434 0.839 1.00 41.25 H new ATOM 0 HA ASN A 71 10.846 13.698 -1.230 1.00 14.25 H new ATOM 0 HB2 ASN A 71 13.871 13.276 -1.131 1.00 0.33 H new ATOM 0 HB3 ASN A 71 12.917 13.147 -2.595 1.00 0.33 H new ATOM 0 HD21 ASN A 71 14.419 16.654 -2.020 1.00 72.03 H new ATOM 0 HD22 ASN A 71 15.106 15.040 -1.813 1.00 72.03 H new ATOM 1164 N MET A 72 11.210 11.148 0.354 1.00 24.04 N ATOM 1165 CA MET A 72 10.988 9.703 0.468 1.00 53.50 C ATOM 1166 C MET A 72 9.569 9.387 0.969 1.00 5.14 C ATOM 1167 O MET A 72 9.096 9.976 1.945 1.00 32.15 O ATOM 1168 CB MET A 72 12.019 9.081 1.422 1.00 4.31 C ATOM 1169 CG MET A 72 13.466 9.261 0.981 1.00 54.33 C ATOM 1170 SD MET A 72 14.644 8.552 2.152 1.00 70.24 S ATOM 1171 CE MET A 72 14.306 9.536 3.614 1.00 64.05 C ATOM 0 H MET A 72 11.093 11.659 1.229 1.00 24.04 H new ATOM 0 HA MET A 72 11.103 9.274 -0.527 1.00 53.50 H new ATOM 0 HB2 MET A 72 11.895 9.522 2.411 1.00 4.31 H new ATOM 0 HB3 MET A 72 11.811 8.016 1.520 1.00 4.31 H new ATOM 0 HG2 MET A 72 13.605 8.795 0.005 1.00 54.33 H new ATOM 0 HG3 MET A 72 13.675 10.324 0.860 1.00 54.33 H new ATOM 0 HE1 MET A 72 15.246 9.881 4.045 1.00 64.05 H new ATOM 0 HE2 MET A 72 13.695 10.396 3.340 1.00 64.05 H new ATOM 0 HE3 MET A 72 13.772 8.929 4.345 1.00 64.05 H new ATOM 1181 N TYR A 73 8.898 8.462 0.290 1.00 54.45 N ATOM 1182 CA TYR A 73 7.588 7.961 0.721 1.00 45.40 C ATOM 1183 C TYR A 73 7.760 6.853 1.771 1.00 11.31 C ATOM 1184 O TYR A 73 8.384 5.825 1.502 1.00 62.11 O ATOM 1185 CB TYR A 73 6.808 7.412 -0.484 1.00 51.12 C ATOM 1186 CG TYR A 73 6.566 8.433 -1.585 1.00 44.44 C ATOM 1187 CD1 TYR A 73 5.588 9.413 -1.451 1.00 64.22 C ATOM 1188 CD2 TYR A 73 7.313 8.409 -2.761 1.00 3.23 C ATOM 1189 CE1 TYR A 73 5.363 10.340 -2.452 1.00 25.33 C ATOM 1190 CE2 TYR A 73 7.092 9.332 -3.767 1.00 55.00 C ATOM 1191 CZ TYR A 73 6.116 10.295 -3.609 1.00 40.12 C ATOM 1192 OH TYR A 73 5.890 11.218 -4.605 1.00 65.33 O ATOM 0 H TYR A 73 9.241 8.037 -0.571 1.00 54.45 H new ATOM 0 HA TYR A 73 7.031 8.787 1.163 1.00 45.40 H new ATOM 0 HB2 TYR A 73 7.354 6.566 -0.902 1.00 51.12 H new ATOM 0 HB3 TYR A 73 5.847 7.032 -0.138 1.00 51.12 H new ATOM 0 HD1 TYR A 73 4.994 9.450 -0.550 1.00 64.22 H new ATOM 0 HD2 TYR A 73 8.077 7.657 -2.889 1.00 3.23 H new ATOM 0 HE1 TYR A 73 4.602 11.096 -2.330 1.00 25.33 H new ATOM 0 HE2 TYR A 73 7.680 9.299 -4.672 1.00 55.00 H new ATOM 0 HH TYR A 73 6.503 11.051 -5.351 1.00 65.33 H new ATOM 1202 N ARG A 74 7.217 7.067 2.966 1.00 4.33 N ATOM 1203 CA ARG A 74 7.359 6.104 4.067 1.00 54.21 C ATOM 1204 C ARG A 74 6.024 5.862 4.787 1.00 14.31 C ATOM 1205 O ARG A 74 5.218 6.777 4.943 1.00 13.21 O ATOM 1206 CB ARG A 74 8.416 6.607 5.065 1.00 74.20 C ATOM 1207 CG ARG A 74 8.142 8.014 5.591 1.00 30.32 C ATOM 1208 CD ARG A 74 9.314 8.573 6.393 1.00 43.21 C ATOM 1209 NE ARG A 74 9.517 7.884 7.666 1.00 3.35 N ATOM 1210 CZ ARG A 74 10.514 8.126 8.473 1.00 74.03 C ATOM 1211 NH1 ARG A 74 11.414 9.006 8.163 1.00 25.14 N ATOM 1212 NH2 ARG A 74 10.608 7.494 9.594 1.00 62.40 N ATOM 0 H ARG A 74 6.673 7.897 3.202 1.00 4.33 H new ATOM 0 HA ARG A 74 7.680 5.153 3.642 1.00 54.21 H new ATOM 0 HB2 ARG A 74 8.465 5.917 5.907 1.00 74.20 H new ATOM 0 HB3 ARG A 74 9.394 6.593 4.583 1.00 74.20 H new ATOM 0 HG2 ARG A 74 7.929 8.677 4.753 1.00 30.32 H new ATOM 0 HG3 ARG A 74 7.251 7.997 6.218 1.00 30.32 H new ATOM 0 HD2 ARG A 74 10.223 8.498 5.797 1.00 43.21 H new ATOM 0 HD3 ARG A 74 9.144 9.633 6.583 1.00 43.21 H new ATOM 0 HE ARG A 74 8.840 7.172 7.940 1.00 3.35 H new ATOM 0 HH11 ARG A 74 11.347 9.516 7.282 1.00 25.14 H new ATOM 0 HH12 ARG A 74 12.190 9.188 8.800 1.00 25.14 H new ATOM 0 HH21 ARG A 74 9.902 6.804 9.851 1.00 62.40 H new ATOM 0 HH22 ARG A 74 11.388 7.685 10.223 1.00 62.40 H new ATOM 1226 N PHE A 75 5.796 4.617 5.209 1.00 63.32 N ATOM 1227 CA PHE A 75 4.610 4.269 6.011 1.00 61.11 C ATOM 1228 C PHE A 75 4.881 4.450 7.513 1.00 34.44 C ATOM 1229 O PHE A 75 3.962 4.671 8.304 1.00 40.44 O ATOM 1230 CB PHE A 75 4.189 2.817 5.749 1.00 14.14 C ATOM 1231 CG PHE A 75 3.796 2.529 4.322 1.00 55.41 C ATOM 1232 CD1 PHE A 75 2.590 2.992 3.813 1.00 55.12 C ATOM 1233 CD2 PHE A 75 4.619 1.774 3.497 1.00 63.34 C ATOM 1234 CE1 PHE A 75 2.219 2.709 2.512 1.00 11.11 C ATOM 1235 CE2 PHE A 75 4.251 1.493 2.197 1.00 74.22 C ATOM 1236 CZ PHE A 75 3.050 1.961 1.704 1.00 14.42 C ATOM 0 H PHE A 75 6.414 3.830 5.012 1.00 63.32 H new ATOM 0 HA PHE A 75 3.806 4.942 5.713 1.00 61.11 H new ATOM 0 HB2 PHE A 75 5.011 2.158 6.026 1.00 14.14 H new ATOM 0 HB3 PHE A 75 3.350 2.572 6.400 1.00 14.14 H new ATOM 0 HD1 PHE A 75 1.935 3.579 4.440 1.00 55.12 H new ATOM 0 HD2 PHE A 75 5.559 1.402 3.877 1.00 63.34 H new ATOM 0 HE1 PHE A 75 1.278 3.074 2.128 1.00 11.11 H new ATOM 0 HE2 PHE A 75 4.903 0.907 1.566 1.00 74.22 H new ATOM 0 HZ PHE A 75 2.761 1.742 0.687 1.00 14.42 H new ATOM 1246 N GLU A 76 6.151 4.330 7.897 1.00 51.04 N ATOM 1247 CA GLU A 76 6.562 4.472 9.298 1.00 41.40 C ATOM 1248 C GLU A 76 8.054 4.834 9.399 1.00 54.14 C ATOM 1249 O GLU A 76 8.408 5.985 9.648 1.00 42.20 O ATOM 1250 CB GLU A 76 6.275 3.175 10.073 1.00 53.23 C ATOM 1251 CG GLU A 76 6.610 3.249 11.560 1.00 62.04 C ATOM 1252 CD GLU A 76 6.278 1.961 12.300 1.00 33.53 C ATOM 1253 OE1 GLU A 76 5.135 1.827 12.787 1.00 45.24 O ATOM 1254 OE2 GLU A 76 7.158 1.081 12.404 1.00 44.22 O ATOM 0 H GLU A 76 6.919 4.134 7.255 1.00 51.04 H new ATOM 0 HA GLU A 76 5.984 5.283 9.741 1.00 41.40 H new ATOM 0 HB2 GLU A 76 5.220 2.924 9.962 1.00 53.23 H new ATOM 0 HB3 GLU A 76 6.845 2.362 9.623 1.00 53.23 H new ATOM 0 HG2 GLU A 76 7.671 3.469 11.679 1.00 62.04 H new ATOM 0 HG3 GLU A 76 6.061 4.075 12.012 1.00 62.04 H new ATOM 1261 N GLY A 77 8.929 3.850 9.186 1.00 24.41 N ATOM 1262 CA GLY A 77 10.371 4.091 9.268 1.00 31.23 C ATOM 1263 C GLY A 77 11.048 4.125 7.902 1.00 71.24 C ATOM 1264 O GLY A 77 11.346 5.196 7.369 1.00 34.33 O ATOM 0 H GLY A 77 8.670 2.890 8.958 1.00 24.41 H new ATOM 0 HA2 GLY A 77 10.547 5.038 9.778 1.00 31.23 H new ATOM 0 HA3 GLY A 77 10.830 3.311 9.876 1.00 31.23 H new ATOM 1268 N THR A 78 11.296 2.949 7.333 1.00 72.10 N ATOM 1269 CA THR A 78 11.928 2.840 6.010 1.00 74.33 C ATOM 1270 C THR A 78 11.022 3.381 4.890 1.00 3.40 C ATOM 1271 O THR A 78 9.794 3.252 4.946 1.00 54.13 O ATOM 1272 CB THR A 78 12.315 1.375 5.687 1.00 41.11 C ATOM 1273 OG1 THR A 78 12.891 1.286 4.373 1.00 52.53 O ATOM 1274 CG2 THR A 78 11.105 0.453 5.777 1.00 35.24 C ATOM 0 H THR A 78 11.070 2.052 7.764 1.00 72.10 H new ATOM 0 HA THR A 78 12.830 3.450 6.053 1.00 74.33 H new ATOM 0 HB THR A 78 13.050 1.056 6.426 1.00 41.11 H new ATOM 0 HG1 THR A 78 13.132 0.355 4.184 1.00 52.53 H new ATOM 0 HG21 THR A 78 11.408 -0.568 5.545 1.00 35.24 H new ATOM 0 HG22 THR A 78 10.694 0.490 6.786 1.00 35.24 H new ATOM 0 HG23 THR A 78 10.347 0.777 5.064 1.00 35.24 H new ATOM 1282 N GLY A 79 11.635 3.987 3.879 1.00 62.23 N ATOM 1283 CA GLY A 79 10.879 4.581 2.778 1.00 2.42 C ATOM 1284 C GLY A 79 11.710 4.771 1.513 1.00 13.11 C ATOM 1285 O GLY A 79 12.941 4.789 1.564 1.00 73.44 O ATOM 0 H GLY A 79 12.647 4.081 3.797 1.00 62.23 H new ATOM 0 HA2 GLY A 79 10.022 3.947 2.550 1.00 2.42 H new ATOM 0 HA3 GLY A 79 10.486 5.547 3.095 1.00 2.42 H new ATOM 1289 N PHE A 80 11.033 4.926 0.374 1.00 51.42 N ATOM 1290 CA PHE A 80 11.706 5.069 -0.926 1.00 30.11 C ATOM 1291 C PHE A 80 11.270 6.340 -1.666 1.00 12.55 C ATOM 1292 O PHE A 80 10.163 6.838 -1.472 1.00 2.43 O ATOM 1293 CB PHE A 80 11.432 3.845 -1.813 1.00 10.34 C ATOM 1294 CG PHE A 80 12.205 2.615 -1.407 1.00 10.05 C ATOM 1295 CD1 PHE A 80 11.773 1.816 -0.362 1.00 33.50 C ATOM 1296 CD2 PHE A 80 13.368 2.266 -2.077 1.00 54.14 C ATOM 1297 CE1 PHE A 80 12.484 0.693 0.007 1.00 44.14 C ATOM 1298 CE2 PHE A 80 14.083 1.144 -1.711 1.00 64.22 C ATOM 1299 CZ PHE A 80 13.641 0.358 -0.668 1.00 31.13 C ATOM 0 H PHE A 80 10.015 4.956 0.322 1.00 51.42 H new ATOM 0 HA PHE A 80 12.774 5.145 -0.722 1.00 30.11 H new ATOM 0 HB2 PHE A 80 10.366 3.619 -1.785 1.00 10.34 H new ATOM 0 HB3 PHE A 80 11.678 4.093 -2.845 1.00 10.34 H new ATOM 0 HD1 PHE A 80 10.869 2.075 0.170 1.00 33.50 H new ATOM 0 HD2 PHE A 80 13.718 2.879 -2.894 1.00 54.14 H new ATOM 0 HE1 PHE A 80 12.136 0.077 0.823 1.00 44.14 H new ATOM 0 HE2 PHE A 80 14.987 0.882 -2.241 1.00 64.22 H new ATOM 0 HZ PHE A 80 14.200 -0.520 -0.379 1.00 31.13 H new ATOM 1309 N SER A 81 12.148 6.846 -2.531 1.00 13.41 N ATOM 1310 CA SER A 81 11.856 8.044 -3.337 1.00 30.31 C ATOM 1311 C SER A 81 10.698 7.803 -4.315 1.00 41.05 C ATOM 1312 O SER A 81 9.999 8.738 -4.716 1.00 42.04 O ATOM 1313 CB SER A 81 13.104 8.476 -4.122 1.00 54.13 C ATOM 1314 OG SER A 81 12.811 9.529 -5.026 1.00 41.30 O ATOM 0 H SER A 81 13.072 6.448 -2.696 1.00 13.41 H new ATOM 0 HA SER A 81 11.562 8.835 -2.647 1.00 30.31 H new ATOM 0 HB2 SER A 81 13.879 8.797 -3.427 1.00 54.13 H new ATOM 0 HB3 SER A 81 13.502 7.623 -4.672 1.00 54.13 H new ATOM 0 HG SER A 81 13.626 9.782 -5.509 1.00 41.30 H new ATOM 1320 N ASN A 82 10.500 6.545 -4.698 1.00 34.13 N ATOM 1321 CA ASN A 82 9.433 6.174 -5.634 1.00 22.31 C ATOM 1322 C ASN A 82 8.386 5.269 -4.968 1.00 71.30 C ATOM 1323 O ASN A 82 8.728 4.268 -4.339 1.00 5.44 O ATOM 1324 CB ASN A 82 10.028 5.455 -6.849 1.00 70.50 C ATOM 1325 CG ASN A 82 10.960 6.343 -7.648 1.00 23.42 C ATOM 1326 OD1 ASN A 82 10.550 6.992 -8.606 1.00 10.15 O ATOM 1327 ND2 ASN A 82 12.219 6.384 -7.263 1.00 2.42 N ATOM 0 H ASN A 82 11.065 5.759 -4.375 1.00 34.13 H new ATOM 0 HA ASN A 82 8.939 7.092 -5.951 1.00 22.31 H new ATOM 0 HB2 ASN A 82 10.571 4.571 -6.514 1.00 70.50 H new ATOM 0 HB3 ASN A 82 9.220 5.108 -7.493 1.00 70.50 H new ATOM 0 HD21 ASN A 82 12.887 6.968 -7.766 1.00 2.42 H new ATOM 0 HD22 ASN A 82 12.526 5.832 -6.462 1.00 2.42 H new ATOM 1334 N ILE A 83 7.108 5.615 -5.135 1.00 20.20 N ATOM 1335 CA ILE A 83 6.004 4.800 -4.606 1.00 63.24 C ATOM 1336 C ILE A 83 6.069 3.340 -5.118 1.00 53.35 C ATOM 1337 O ILE A 83 5.986 2.401 -4.323 1.00 55.51 O ATOM 1338 CB ILE A 83 4.621 5.419 -4.957 1.00 41.52 C ATOM 1339 CG1 ILE A 83 4.491 6.818 -4.331 1.00 72.13 C ATOM 1340 CG2 ILE A 83 3.476 4.510 -4.500 1.00 61.33 C ATOM 1341 CD1 ILE A 83 3.189 7.524 -4.660 1.00 75.32 C ATOM 0 H ILE A 83 6.808 6.454 -5.632 1.00 20.20 H new ATOM 0 HA ILE A 83 6.118 4.789 -3.522 1.00 63.24 H new ATOM 0 HB ILE A 83 4.554 5.514 -6.041 1.00 41.52 H new ATOM 0 HG12 ILE A 83 4.581 6.730 -3.248 1.00 72.13 H new ATOM 0 HG13 ILE A 83 5.323 7.435 -4.671 1.00 72.13 H new ATOM 0 HG21 ILE A 83 2.522 4.969 -4.759 1.00 61.33 H new ATOM 0 HG22 ILE A 83 3.560 3.543 -4.995 1.00 61.33 H new ATOM 0 HG23 ILE A 83 3.531 4.371 -3.420 1.00 61.33 H new ATOM 0 HD11 ILE A 83 3.175 8.503 -4.182 1.00 75.32 H new ATOM 0 HD12 ILE A 83 3.104 7.646 -5.740 1.00 75.32 H new ATOM 0 HD13 ILE A 83 2.351 6.930 -4.295 1.00 75.32 H new ATOM 1353 N PRO A 84 6.227 3.116 -6.450 1.00 63.25 N ATOM 1354 CA PRO A 84 6.350 1.757 -7.002 1.00 40.11 C ATOM 1355 C PRO A 84 7.515 0.963 -6.384 1.00 10.31 C ATOM 1356 O PRO A 84 7.399 -0.237 -6.159 1.00 21.54 O ATOM 1357 CB PRO A 84 6.581 1.986 -8.509 1.00 62.34 C ATOM 1358 CG PRO A 84 6.976 3.420 -8.634 1.00 2.05 C ATOM 1359 CD PRO A 84 6.273 4.136 -7.514 1.00 54.21 C ATOM 0 HA PRO A 84 5.465 1.159 -6.786 1.00 40.11 H new ATOM 0 HB2 PRO A 84 7.362 1.328 -8.892 1.00 62.34 H new ATOM 0 HB3 PRO A 84 5.678 1.776 -9.082 1.00 62.34 H new ATOM 0 HG2 PRO A 84 8.057 3.536 -8.555 1.00 2.05 H new ATOM 0 HG3 PRO A 84 6.682 3.824 -9.603 1.00 2.05 H new ATOM 0 HD2 PRO A 84 6.818 5.025 -7.198 1.00 54.21 H new ATOM 0 HD3 PRO A 84 5.274 4.461 -7.806 1.00 54.21 H new ATOM 1367 N GLN A 85 8.631 1.641 -6.102 1.00 61.03 N ATOM 1368 CA GLN A 85 9.804 0.988 -5.497 1.00 2.04 C ATOM 1369 C GLN A 85 9.587 0.673 -4.010 1.00 4.25 C ATOM 1370 O GLN A 85 10.083 -0.331 -3.503 1.00 14.43 O ATOM 1371 CB GLN A 85 11.061 1.848 -5.690 1.00 14.51 C ATOM 1372 CG GLN A 85 11.657 1.743 -7.091 1.00 43.20 C ATOM 1373 CD GLN A 85 12.085 0.320 -7.427 1.00 62.43 C ATOM 1374 OE1 GLN A 85 13.213 -0.078 -7.169 1.00 10.55 O ATOM 1375 NE2 GLN A 85 11.185 -0.463 -7.992 1.00 50.52 N ATOM 0 H GLN A 85 8.751 2.638 -6.281 1.00 61.03 H new ATOM 0 HA GLN A 85 9.946 0.037 -6.011 1.00 2.04 H new ATOM 0 HB2 GLN A 85 10.815 2.890 -5.485 1.00 14.51 H new ATOM 0 HB3 GLN A 85 11.813 1.549 -4.960 1.00 14.51 H new ATOM 0 HG2 GLN A 85 10.924 2.083 -7.823 1.00 43.20 H new ATOM 0 HG3 GLN A 85 12.517 2.408 -7.169 1.00 43.20 H new ATOM 0 HE21 GLN A 85 10.252 -0.104 -8.195 1.00 50.52 H new ATOM 0 HE22 GLN A 85 11.422 -1.427 -8.225 1.00 50.52 H new ATOM 1384 N LEU A 86 8.854 1.533 -3.313 1.00 1.02 N ATOM 1385 CA LEU A 86 8.479 1.279 -1.920 1.00 22.52 C ATOM 1386 C LEU A 86 7.692 -0.041 -1.809 1.00 71.12 C ATOM 1387 O LEU A 86 8.081 -0.962 -1.074 1.00 1.52 O ATOM 1388 CB LEU A 86 7.647 2.459 -1.385 1.00 34.11 C ATOM 1389 CG LEU A 86 7.190 2.352 0.080 1.00 3.01 C ATOM 1390 CD1 LEU A 86 8.389 2.229 1.020 1.00 52.04 C ATOM 1391 CD2 LEU A 86 6.328 3.558 0.456 1.00 45.10 C ATOM 0 H LEU A 86 8.505 2.415 -3.687 1.00 1.02 H new ATOM 0 HA LEU A 86 9.382 1.185 -1.317 1.00 22.52 H new ATOM 0 HB2 LEU A 86 8.233 3.371 -1.496 1.00 34.11 H new ATOM 0 HB3 LEU A 86 6.763 2.569 -2.013 1.00 34.11 H new ATOM 0 HG LEU A 86 6.589 1.449 0.186 1.00 3.01 H new ATOM 0 HD11 LEU A 86 8.038 2.155 2.049 1.00 52.04 H new ATOM 0 HD12 LEU A 86 8.960 1.336 0.766 1.00 52.04 H new ATOM 0 HD13 LEU A 86 9.025 3.108 0.916 1.00 52.04 H new ATOM 0 HD21 LEU A 86 6.012 3.469 1.495 1.00 45.10 H new ATOM 0 HD22 LEU A 86 6.907 4.473 0.330 1.00 45.10 H new ATOM 0 HD23 LEU A 86 5.450 3.593 -0.189 1.00 45.10 H new ATOM 1403 N ILE A 87 6.603 -0.130 -2.569 1.00 20.54 N ATOM 1404 CA ILE A 87 5.776 -1.339 -2.616 1.00 4.10 C ATOM 1405 C ILE A 87 6.577 -2.544 -3.145 1.00 75.03 C ATOM 1406 O ILE A 87 6.606 -3.605 -2.521 1.00 1.12 O ATOM 1407 CB ILE A 87 4.522 -1.119 -3.509 1.00 20.00 C ATOM 1408 CG1 ILE A 87 3.689 0.071 -2.997 1.00 52.32 C ATOM 1409 CG2 ILE A 87 3.666 -2.384 -3.576 1.00 0.31 C ATOM 1410 CD1 ILE A 87 3.176 -0.094 -1.580 1.00 1.21 C ATOM 0 H ILE A 87 6.269 0.626 -3.166 1.00 20.54 H new ATOM 0 HA ILE A 87 5.456 -1.551 -1.596 1.00 4.10 H new ATOM 0 HB ILE A 87 4.866 -0.890 -4.518 1.00 20.00 H new ATOM 0 HG12 ILE A 87 4.297 0.974 -3.049 1.00 52.32 H new ATOM 0 HG13 ILE A 87 2.840 0.219 -3.664 1.00 52.32 H new ATOM 0 HG21 ILE A 87 2.796 -2.202 -4.207 1.00 0.31 H new ATOM 0 HG22 ILE A 87 4.254 -3.200 -3.996 1.00 0.31 H new ATOM 0 HG23 ILE A 87 3.336 -2.654 -2.573 1.00 0.31 H new ATOM 0 HD11 ILE A 87 2.600 0.787 -1.297 1.00 1.21 H new ATOM 0 HD12 ILE A 87 2.540 -0.977 -1.524 1.00 1.21 H new ATOM 0 HD13 ILE A 87 4.019 -0.210 -0.899 1.00 1.21 H new ATOM 1422 N ASP A 88 7.236 -2.357 -4.290 1.00 63.22 N ATOM 1423 CA ASP A 88 8.043 -3.409 -4.926 1.00 33.31 C ATOM 1424 C ASP A 88 9.086 -4.007 -3.965 1.00 34.25 C ATOM 1425 O ASP A 88 9.124 -5.219 -3.756 1.00 11.21 O ATOM 1426 CB ASP A 88 8.734 -2.831 -6.172 1.00 33.21 C ATOM 1427 CG ASP A 88 9.731 -3.785 -6.809 1.00 13.43 C ATOM 1428 OD1 ASP A 88 9.300 -4.707 -7.533 1.00 42.21 O ATOM 1429 OD2 ASP A 88 10.950 -3.604 -6.598 1.00 54.20 O ATOM 0 H ASP A 88 7.228 -1.476 -4.804 1.00 63.22 H new ATOM 0 HA ASP A 88 7.375 -4.221 -5.211 1.00 33.31 H new ATOM 0 HB2 ASP A 88 7.975 -2.566 -6.908 1.00 33.21 H new ATOM 0 HB3 ASP A 88 9.248 -1.910 -5.898 1.00 33.21 H new ATOM 1434 N HIS A 89 9.909 -3.153 -3.363 1.00 3.32 N ATOM 1435 CA HIS A 89 11.010 -3.616 -2.519 1.00 11.04 C ATOM 1436 C HIS A 89 10.506 -4.343 -1.259 1.00 73.14 C ATOM 1437 O HIS A 89 11.180 -5.237 -0.749 1.00 35.53 O ATOM 1438 CB HIS A 89 11.917 -2.445 -2.134 1.00 64.14 C ATOM 1439 CG HIS A 89 13.230 -2.871 -1.547 1.00 52.21 C ATOM 1440 ND1 HIS A 89 14.345 -3.143 -2.312 1.00 61.34 N ATOM 1441 CD2 HIS A 89 13.608 -3.062 -0.262 1.00 11.33 C ATOM 1442 CE1 HIS A 89 15.347 -3.478 -1.523 1.00 31.43 C ATOM 1443 NE2 HIS A 89 14.926 -3.437 -0.276 1.00 55.05 N ATOM 0 H HIS A 89 9.836 -2.139 -3.443 1.00 3.32 H new ATOM 0 HA HIS A 89 11.586 -4.336 -3.101 1.00 11.04 H new ATOM 0 HB2 HIS A 89 12.104 -1.835 -3.018 1.00 64.14 H new ATOM 0 HB3 HIS A 89 11.395 -1.813 -1.416 1.00 64.14 H new ATOM 0 HD2 HIS A 89 12.986 -2.941 0.613 1.00 11.33 H new ATOM 0 HE1 HIS A 89 16.344 -3.741 -1.845 1.00 31.43 H new ATOM 0 HE2 HIS A 89 15.490 -3.650 0.547 1.00 55.05 H new ATOM 1452 N HIS A 90 9.339 -3.955 -0.741 1.00 0.41 N ATOM 1453 CA HIS A 90 8.732 -4.679 0.389 1.00 35.44 C ATOM 1454 C HIS A 90 8.078 -5.993 -0.072 1.00 65.50 C ATOM 1455 O HIS A 90 8.081 -6.987 0.655 1.00 35.01 O ATOM 1456 CB HIS A 90 7.712 -3.799 1.128 1.00 73.41 C ATOM 1457 CG HIS A 90 8.352 -2.797 2.044 1.00 13.15 C ATOM 1458 ND1 HIS A 90 8.300 -2.899 3.416 1.00 23.23 N ATOM 1459 CD2 HIS A 90 9.073 -1.679 1.782 1.00 10.13 C ATOM 1460 CE1 HIS A 90 8.956 -1.895 3.956 1.00 31.35 C ATOM 1461 NE2 HIS A 90 9.439 -1.140 2.992 1.00 51.10 N ATOM 0 H HIS A 90 8.799 -3.157 -1.076 1.00 0.41 H new ATOM 0 HA HIS A 90 9.534 -4.928 1.083 1.00 35.44 H new ATOM 0 HB2 HIS A 90 7.098 -3.273 0.397 1.00 73.41 H new ATOM 0 HB3 HIS A 90 7.043 -4.436 1.707 1.00 73.41 H new ATOM 0 HD1 HIS A 90 7.826 -3.639 3.934 1.00 23.23 H new ATOM 0 HD2 HIS A 90 9.314 -1.286 0.806 1.00 10.13 H new ATOM 0 HE1 HIS A 90 9.078 -1.719 5.015 1.00 31.35 H new ATOM 1470 N TYR A 91 7.532 -5.984 -1.284 1.00 74.34 N ATOM 1471 CA TYR A 91 6.913 -7.173 -1.883 1.00 14.23 C ATOM 1472 C TYR A 91 7.967 -8.262 -2.164 1.00 53.52 C ATOM 1473 O TYR A 91 7.743 -9.451 -1.914 1.00 25.34 O ATOM 1474 CB TYR A 91 6.208 -6.768 -3.188 1.00 1.11 C ATOM 1475 CG TYR A 91 5.331 -7.846 -3.802 1.00 13.44 C ATOM 1476 CD1 TYR A 91 5.874 -8.865 -4.581 1.00 73.14 C ATOM 1477 CD2 TYR A 91 3.952 -7.832 -3.613 1.00 62.12 C ATOM 1478 CE1 TYR A 91 5.070 -9.835 -5.146 1.00 2.43 C ATOM 1479 CE2 TYR A 91 3.145 -8.796 -4.180 1.00 61.42 C ATOM 1480 CZ TYR A 91 3.708 -9.795 -4.945 1.00 1.13 C ATOM 1481 OH TYR A 91 2.902 -10.757 -5.513 1.00 63.43 O ATOM 0 H TYR A 91 7.503 -5.158 -1.881 1.00 74.34 H new ATOM 0 HA TYR A 91 6.186 -7.585 -1.183 1.00 14.23 H new ATOM 0 HB2 TYR A 91 5.595 -5.888 -2.995 1.00 1.11 H new ATOM 0 HB3 TYR A 91 6.964 -6.476 -3.917 1.00 1.11 H new ATOM 0 HD1 TYR A 91 6.941 -8.897 -4.746 1.00 73.14 H new ATOM 0 HD2 TYR A 91 3.506 -7.053 -3.012 1.00 62.12 H new ATOM 0 HE1 TYR A 91 5.507 -10.622 -5.743 1.00 2.43 H new ATOM 0 HE2 TYR A 91 2.076 -8.768 -4.025 1.00 61.42 H new ATOM 0 HH TYR A 91 3.402 -11.596 -5.596 1.00 63.43 H new ATOM 1491 N THR A 92 9.115 -7.840 -2.687 1.00 74.44 N ATOM 1492 CA THR A 92 10.221 -8.753 -3.002 1.00 40.44 C ATOM 1493 C THR A 92 10.859 -9.320 -1.729 1.00 22.53 C ATOM 1494 O THR A 92 10.937 -10.537 -1.544 1.00 4.42 O ATOM 1495 CB THR A 92 11.320 -8.042 -3.827 1.00 24.44 C ATOM 1496 OG1 THR A 92 11.849 -6.933 -3.083 1.00 21.22 O ATOM 1497 CG2 THR A 92 10.774 -7.545 -5.164 1.00 14.25 C ATOM 0 H THR A 92 9.309 -6.863 -2.905 1.00 74.44 H new ATOM 0 HA THR A 92 9.794 -9.567 -3.588 1.00 40.44 H new ATOM 0 HB THR A 92 12.112 -8.764 -4.026 1.00 24.44 H new ATOM 0 HG1 THR A 92 12.545 -6.488 -3.610 1.00 21.22 H new ATOM 0 HG21 THR A 92 11.570 -7.050 -5.721 1.00 14.25 H new ATOM 0 HG22 THR A 92 10.399 -8.391 -5.741 1.00 14.25 H new ATOM 0 HG23 THR A 92 9.963 -6.839 -4.986 1.00 14.25 H new ATOM 1505 N THR A 93 11.312 -8.427 -0.848 1.00 54.51 N ATOM 1506 CA THR A 93 11.949 -8.835 0.415 1.00 42.13 C ATOM 1507 C THR A 93 10.951 -9.485 1.381 1.00 10.05 C ATOM 1508 O THR A 93 11.353 -10.228 2.279 1.00 34.23 O ATOM 1509 CB THR A 93 12.620 -7.640 1.135 1.00 62.51 C ATOM 1510 OG1 THR A 93 11.642 -6.637 1.451 1.00 73.44 O ATOM 1511 CG2 THR A 93 13.719 -7.028 0.269 1.00 71.32 C ATOM 0 H THR A 93 11.252 -7.417 -0.981 1.00 54.51 H new ATOM 0 HA THR A 93 12.709 -9.566 0.138 1.00 42.13 H new ATOM 0 HB THR A 93 13.068 -8.011 2.057 1.00 62.51 H new ATOM 0 HG1 THR A 93 11.626 -5.961 0.742 1.00 73.44 H new ATOM 0 HG21 THR A 93 14.175 -6.191 0.797 1.00 71.32 H new ATOM 0 HG22 THR A 93 14.479 -7.781 0.059 1.00 71.32 H new ATOM 0 HG23 THR A 93 13.289 -6.675 -0.668 1.00 71.32 H new ATOM 1519 N LYS A 94 9.659 -9.216 1.175 1.00 44.32 N ATOM 1520 CA LYS A 94 8.592 -9.733 2.046 1.00 25.41 C ATOM 1521 C LYS A 94 8.688 -9.084 3.442 1.00 10.12 C ATOM 1522 O LYS A 94 8.349 -9.692 4.461 1.00 13.53 O ATOM 1523 CB LYS A 94 8.680 -11.271 2.131 1.00 1.23 C ATOM 1524 CG LYS A 94 7.404 -11.960 2.609 1.00 24.13 C ATOM 1525 CD LYS A 94 6.253 -11.792 1.616 1.00 71.33 C ATOM 1526 CE LYS A 94 5.035 -12.617 2.019 1.00 3.31 C ATOM 1527 NZ LYS A 94 5.316 -14.079 1.987 1.00 74.52 N ATOM 0 H LYS A 94 9.321 -8.638 0.406 1.00 44.32 H new ATOM 0 HA LYS A 94 7.621 -9.475 1.623 1.00 25.41 H new ATOM 0 HB2 LYS A 94 8.940 -11.661 1.147 1.00 1.23 H new ATOM 0 HB3 LYS A 94 9.494 -11.538 2.805 1.00 1.23 H new ATOM 0 HG2 LYS A 94 7.600 -13.022 2.760 1.00 24.13 H new ATOM 0 HG3 LYS A 94 7.111 -11.550 3.575 1.00 24.13 H new ATOM 0 HD2 LYS A 94 5.976 -10.740 1.555 1.00 71.33 H new ATOM 0 HD3 LYS A 94 6.583 -12.093 0.622 1.00 71.33 H new ATOM 0 HE2 LYS A 94 4.719 -12.330 3.022 1.00 3.31 H new ATOM 0 HE3 LYS A 94 4.207 -12.392 1.347 1.00 3.31 H new ATOM 0 HZ1 LYS A 94 4.419 -14.605 1.998 1.00 74.52 H new ATOM 0 HZ2 LYS A 94 5.844 -14.312 1.122 1.00 74.52 H new ATOM 0 HZ3 LYS A 94 5.882 -14.342 2.819 1.00 74.52 H new ATOM 1541 N GLN A 95 9.125 -7.822 3.459 1.00 13.21 N ATOM 1542 CA GLN A 95 9.366 -7.077 4.706 1.00 24.01 C ATOM 1543 C GLN A 95 8.129 -6.232 5.092 1.00 10.43 C ATOM 1544 O GLN A 95 7.429 -5.705 4.223 1.00 43.50 O ATOM 1545 CB GLN A 95 10.617 -6.191 4.522 1.00 23.04 C ATOM 1546 CG GLN A 95 11.360 -5.833 5.810 1.00 42.42 C ATOM 1547 CD GLN A 95 10.800 -4.617 6.523 1.00 22.31 C ATOM 1548 OE1 GLN A 95 9.941 -4.725 7.388 1.00 22.54 O ATOM 1549 NE2 GLN A 95 11.288 -3.447 6.167 1.00 74.33 N ATOM 0 H GLN A 95 9.322 -7.286 2.614 1.00 13.21 H new ATOM 0 HA GLN A 95 9.540 -7.777 5.523 1.00 24.01 H new ATOM 0 HB2 GLN A 95 11.309 -6.703 3.853 1.00 23.04 H new ATOM 0 HB3 GLN A 95 10.318 -5.268 4.026 1.00 23.04 H new ATOM 0 HG2 GLN A 95 11.326 -6.687 6.487 1.00 42.42 H new ATOM 0 HG3 GLN A 95 12.409 -5.654 5.575 1.00 42.42 H new ATOM 0 HE21 GLN A 95 12.004 -3.392 5.442 1.00 74.33 H new ATOM 0 HE22 GLN A 95 10.950 -2.596 6.616 1.00 74.33 H new ATOM 1558 N VAL A 96 7.890 -6.083 6.401 1.00 42.44 N ATOM 1559 CA VAL A 96 6.640 -5.495 6.921 1.00 54.41 C ATOM 1560 C VAL A 96 6.418 -4.036 6.479 1.00 1.51 C ATOM 1561 O VAL A 96 7.296 -3.398 5.895 1.00 25.33 O ATOM 1562 CB VAL A 96 6.592 -5.555 8.476 1.00 64.23 C ATOM 1563 CG1 VAL A 96 7.048 -6.922 8.980 1.00 43.24 C ATOM 1564 CG2 VAL A 96 7.425 -4.437 9.106 1.00 54.22 C ATOM 0 H VAL A 96 8.549 -6.363 7.128 1.00 42.44 H new ATOM 0 HA VAL A 96 5.841 -6.101 6.494 1.00 54.41 H new ATOM 0 HB VAL A 96 5.556 -5.405 8.780 1.00 64.23 H new ATOM 0 HG11 VAL A 96 7.006 -6.941 10.069 1.00 43.24 H new ATOM 0 HG12 VAL A 96 6.393 -7.695 8.578 1.00 43.24 H new ATOM 0 HG13 VAL A 96 8.071 -7.108 8.653 1.00 43.24 H new ATOM 0 HG21 VAL A 96 7.369 -4.509 10.192 1.00 54.22 H new ATOM 0 HG22 VAL A 96 8.463 -4.534 8.789 1.00 54.22 H new ATOM 0 HG23 VAL A 96 7.037 -3.470 8.786 1.00 54.22 H new ATOM 1574 N ILE A 97 5.221 -3.524 6.761 1.00 25.41 N ATOM 1575 CA ILE A 97 4.868 -2.126 6.485 1.00 51.22 C ATOM 1576 C ILE A 97 5.082 -1.236 7.729 1.00 74.20 C ATOM 1577 O ILE A 97 5.941 -0.352 7.732 1.00 24.24 O ATOM 1578 CB ILE A 97 3.397 -2.017 6.001 1.00 32.34 C ATOM 1579 CG1 ILE A 97 3.200 -2.831 4.714 1.00 44.20 C ATOM 1580 CG2 ILE A 97 2.995 -0.561 5.780 1.00 4.42 C ATOM 1581 CD1 ILE A 97 4.086 -2.392 3.563 1.00 74.41 C ATOM 0 H ILE A 97 4.467 -4.063 7.187 1.00 25.41 H new ATOM 0 HA ILE A 97 5.528 -1.771 5.694 1.00 51.22 H new ATOM 0 HB ILE A 97 2.753 -2.427 6.779 1.00 32.34 H new ATOM 0 HG12 ILE A 97 3.394 -3.882 4.928 1.00 44.20 H new ATOM 0 HG13 ILE A 97 2.157 -2.756 4.405 1.00 44.20 H new ATOM 0 HG21 ILE A 97 1.960 -0.517 5.441 1.00 4.42 H new ATOM 0 HG22 ILE A 97 3.095 -0.010 6.715 1.00 4.42 H new ATOM 0 HG23 ILE A 97 3.643 -0.115 5.025 1.00 4.42 H new ATOM 0 HD11 ILE A 97 3.886 -3.016 2.692 1.00 74.41 H new ATOM 0 HD12 ILE A 97 3.876 -1.350 3.319 1.00 74.41 H new ATOM 0 HD13 ILE A 97 5.133 -2.494 3.850 1.00 74.41 H new ATOM 1593 N THR A 98 4.288 -1.469 8.781 1.00 12.32 N ATOM 1594 CA THR A 98 4.436 -0.750 10.059 1.00 52.15 C ATOM 1595 C THR A 98 4.530 -1.734 11.231 1.00 4.10 C ATOM 1596 O THR A 98 3.867 -2.770 11.233 1.00 32.41 O ATOM 1597 CB THR A 98 3.247 0.205 10.336 1.00 12.21 C ATOM 1598 OG1 THR A 98 2.026 -0.547 10.457 1.00 52.32 O ATOM 1599 CG2 THR A 98 3.099 1.252 9.237 1.00 34.41 C ATOM 0 H THR A 98 3.531 -2.153 8.775 1.00 12.32 H new ATOM 0 HA THR A 98 5.352 -0.166 9.973 1.00 52.15 H new ATOM 0 HB THR A 98 3.452 0.724 11.272 1.00 12.21 H new ATOM 0 HG1 THR A 98 1.436 -0.337 9.703 1.00 52.32 H new ATOM 0 HG21 THR A 98 2.255 1.903 9.466 1.00 34.41 H new ATOM 0 HG22 THR A 98 4.010 1.847 9.176 1.00 34.41 H new ATOM 0 HG23 THR A 98 2.925 0.755 8.282 1.00 34.41 H new ATOM 1607 N LYS A 99 5.332 -1.402 12.238 1.00 32.53 N ATOM 1608 CA LYS A 99 5.487 -2.268 13.415 1.00 43.35 C ATOM 1609 C LYS A 99 4.223 -2.277 14.292 1.00 74.10 C ATOM 1610 O LYS A 99 4.050 -3.162 15.134 1.00 10.43 O ATOM 1611 CB LYS A 99 6.714 -1.841 14.239 1.00 41.22 C ATOM 1612 CG LYS A 99 8.032 -2.438 13.746 1.00 23.33 C ATOM 1613 CD LYS A 99 8.292 -2.145 12.270 1.00 65.14 C ATOM 1614 CE LYS A 99 9.547 -2.849 11.770 1.00 52.15 C ATOM 1615 NZ LYS A 99 9.487 -4.318 11.985 1.00 34.10 N ATOM 0 H LYS A 99 5.885 -0.545 12.268 1.00 32.53 H new ATOM 0 HA LYS A 99 5.640 -3.285 13.055 1.00 43.35 H new ATOM 0 HB2 LYS A 99 6.790 -0.754 14.221 1.00 41.22 H new ATOM 0 HB3 LYS A 99 6.561 -2.133 15.278 1.00 41.22 H new ATOM 0 HG2 LYS A 99 8.853 -2.039 14.342 1.00 23.33 H new ATOM 0 HG3 LYS A 99 8.019 -3.517 13.902 1.00 23.33 H new ATOM 0 HD2 LYS A 99 7.434 -2.466 11.678 1.00 65.14 H new ATOM 0 HD3 LYS A 99 8.395 -1.070 12.125 1.00 65.14 H new ATOM 0 HE2 LYS A 99 9.678 -2.644 10.708 1.00 52.15 H new ATOM 0 HE3 LYS A 99 10.419 -2.443 12.283 1.00 52.15 H new ATOM 0 HZ1 LYS A 99 9.948 -4.804 11.190 1.00 34.10 H new ATOM 0 HZ2 LYS A 99 9.978 -4.560 12.870 1.00 34.10 H new ATOM 0 HZ3 LYS A 99 8.494 -4.620 12.047 1.00 34.10 H new ATOM 1629 N LYS A 100 3.348 -1.293 14.092 1.00 53.23 N ATOM 1630 CA LYS A 100 2.085 -1.212 14.838 1.00 45.41 C ATOM 1631 C LYS A 100 1.053 -2.246 14.343 1.00 64.23 C ATOM 1632 O LYS A 100 0.082 -2.549 15.037 1.00 33.02 O ATOM 1633 CB LYS A 100 1.502 0.206 14.734 1.00 1.12 C ATOM 1634 CG LYS A 100 2.415 1.293 15.294 1.00 51.13 C ATOM 1635 CD LYS A 100 2.692 1.098 16.782 1.00 62.43 C ATOM 1636 CE LYS A 100 3.603 2.186 17.339 1.00 33.04 C ATOM 1637 NZ LYS A 100 3.868 1.999 18.788 1.00 24.14 N ATOM 0 H LYS A 100 3.487 -0.538 13.420 1.00 53.23 H new ATOM 0 HA LYS A 100 2.305 -1.441 15.881 1.00 45.41 H new ATOM 0 HB2 LYS A 100 1.292 0.426 13.687 1.00 1.12 H new ATOM 0 HB3 LYS A 100 0.550 0.236 15.264 1.00 1.12 H new ATOM 0 HG2 LYS A 100 3.358 1.292 14.747 1.00 51.13 H new ATOM 0 HG3 LYS A 100 1.956 2.269 15.136 1.00 51.13 H new ATOM 0 HD2 LYS A 100 1.750 1.098 17.330 1.00 62.43 H new ATOM 0 HD3 LYS A 100 3.152 0.123 16.941 1.00 62.43 H new ATOM 0 HE2 LYS A 100 4.547 2.183 16.794 1.00 33.04 H new ATOM 0 HE3 LYS A 100 3.144 3.161 17.177 1.00 33.04 H new ATOM 0 HZ1 LYS A 100 4.491 2.759 19.128 1.00 24.14 H new ATOM 0 HZ2 LYS A 100 2.970 2.027 19.312 1.00 24.14 H new ATOM 0 HZ3 LYS A 100 4.329 1.079 18.941 1.00 24.14 H new ATOM 1651 N SER A 101 1.263 -2.782 13.137 1.00 22.14 N ATOM 1652 CA SER A 101 0.369 -3.818 12.584 1.00 1.21 C ATOM 1653 C SER A 101 1.140 -5.108 12.259 1.00 52.34 C ATOM 1654 O SER A 101 0.697 -6.208 12.587 1.00 64.12 O ATOM 1655 CB SER A 101 -0.344 -3.315 11.315 1.00 35.11 C ATOM 1656 OG SER A 101 -1.044 -2.099 11.546 1.00 22.53 O ATOM 0 H SER A 101 2.036 -2.522 12.525 1.00 22.14 H new ATOM 0 HA SER A 101 -0.376 -4.037 13.348 1.00 1.21 H new ATOM 0 HB2 SER A 101 0.389 -3.167 10.522 1.00 35.11 H new ATOM 0 HB3 SER A 101 -1.043 -4.075 10.966 1.00 35.11 H new ATOM 0 HG SER A 101 -0.413 -1.349 11.523 1.00 22.53 H new ATOM 1662 N GLY A 102 2.295 -4.964 11.607 1.00 71.43 N ATOM 1663 CA GLY A 102 3.103 -6.121 11.217 1.00 3.13 C ATOM 1664 C GLY A 102 2.613 -6.784 9.934 1.00 64.31 C ATOM 1665 O GLY A 102 2.781 -7.986 9.744 1.00 62.03 O ATOM 0 H GLY A 102 2.690 -4.063 11.339 1.00 71.43 H new ATOM 0 HA2 GLY A 102 4.138 -5.806 11.085 1.00 3.13 H new ATOM 0 HA3 GLY A 102 3.093 -6.853 12.025 1.00 3.13 H new ATOM 1669 N VAL A 103 2.013 -5.992 9.047 1.00 0.04 N ATOM 1670 CA VAL A 103 1.457 -6.513 7.794 1.00 61.14 C ATOM 1671 C VAL A 103 2.502 -6.517 6.663 1.00 4.14 C ATOM 1672 O VAL A 103 3.338 -5.615 6.568 1.00 32.43 O ATOM 1673 CB VAL A 103 0.226 -5.686 7.344 1.00 51.22 C ATOM 1674 CG1 VAL A 103 -0.374 -6.251 6.058 1.00 15.42 C ATOM 1675 CG2 VAL A 103 -0.826 -5.626 8.454 1.00 60.03 C ATOM 0 H VAL A 103 1.898 -4.986 9.171 1.00 0.04 H new ATOM 0 HA VAL A 103 1.152 -7.541 7.992 1.00 61.14 H new ATOM 0 HB VAL A 103 0.562 -4.669 7.140 1.00 51.22 H new ATOM 0 HG11 VAL A 103 -1.236 -5.652 5.765 1.00 15.42 H new ATOM 0 HG12 VAL A 103 0.373 -6.224 5.265 1.00 15.42 H new ATOM 0 HG13 VAL A 103 -0.688 -7.281 6.225 1.00 15.42 H new ATOM 0 HG21 VAL A 103 -1.680 -5.040 8.114 1.00 60.03 H new ATOM 0 HG22 VAL A 103 -1.153 -6.636 8.700 1.00 60.03 H new ATOM 0 HG23 VAL A 103 -0.395 -5.159 9.339 1.00 60.03 H new ATOM 1685 N VAL A 104 2.438 -7.538 5.809 1.00 63.21 N ATOM 1686 CA VAL A 104 3.341 -7.668 4.658 1.00 4.43 C ATOM 1687 C VAL A 104 2.545 -7.675 3.336 1.00 55.02 C ATOM 1688 O VAL A 104 1.372 -8.048 3.314 1.00 3.11 O ATOM 1689 CB VAL A 104 4.183 -8.966 4.764 1.00 32.31 C ATOM 1690 CG1 VAL A 104 5.172 -9.067 3.608 1.00 42.12 C ATOM 1691 CG2 VAL A 104 4.911 -9.035 6.108 1.00 23.04 C ATOM 0 H VAL A 104 1.762 -8.298 5.892 1.00 63.21 H new ATOM 0 HA VAL A 104 4.012 -6.809 4.663 1.00 4.43 H new ATOM 0 HB VAL A 104 3.502 -9.815 4.703 1.00 32.31 H new ATOM 0 HG11 VAL A 104 5.751 -9.985 3.704 1.00 42.12 H new ATOM 0 HG12 VAL A 104 4.628 -9.078 2.664 1.00 42.12 H new ATOM 0 HG13 VAL A 104 5.845 -8.210 3.629 1.00 42.12 H new ATOM 0 HG21 VAL A 104 5.495 -9.954 6.159 1.00 23.04 H new ATOM 0 HG22 VAL A 104 5.576 -8.177 6.206 1.00 23.04 H new ATOM 0 HG23 VAL A 104 4.182 -9.023 6.918 1.00 23.04 H new ATOM 1701 N LEU A 105 3.186 -7.269 2.238 1.00 50.22 N ATOM 1702 CA LEU A 105 2.509 -7.162 0.935 1.00 25.52 C ATOM 1703 C LEU A 105 2.724 -8.409 0.059 1.00 71.14 C ATOM 1704 O LEU A 105 3.854 -8.747 -0.298 1.00 64.12 O ATOM 1705 CB LEU A 105 3.004 -5.917 0.186 1.00 51.34 C ATOM 1706 CG LEU A 105 2.807 -4.586 0.925 1.00 61.52 C ATOM 1707 CD1 LEU A 105 3.326 -3.424 0.085 1.00 25.35 C ATOM 1708 CD2 LEU A 105 1.336 -4.383 1.290 1.00 73.01 C ATOM 0 H LEU A 105 4.172 -7.008 2.221 1.00 50.22 H new ATOM 0 HA LEU A 105 1.441 -7.079 1.134 1.00 25.52 H new ATOM 0 HB2 LEU A 105 4.065 -6.041 -0.029 1.00 51.34 H new ATOM 0 HB3 LEU A 105 2.489 -5.861 -0.773 1.00 51.34 H new ATOM 0 HG LEU A 105 3.382 -4.618 1.850 1.00 61.52 H new ATOM 0 HD11 LEU A 105 3.177 -2.489 0.626 1.00 25.35 H new ATOM 0 HD12 LEU A 105 4.389 -3.564 -0.113 1.00 25.35 H new ATOM 0 HD13 LEU A 105 2.783 -3.387 -0.860 1.00 25.35 H new ATOM 0 HD21 LEU A 105 1.219 -3.434 1.813 1.00 73.01 H new ATOM 0 HD22 LEU A 105 0.734 -4.374 0.382 1.00 73.01 H new ATOM 0 HD23 LEU A 105 1.006 -5.196 1.936 1.00 73.01 H new ATOM 1720 N LEU A 106 1.628 -9.091 -0.271 1.00 11.44 N ATOM 1721 CA LEU A 106 1.651 -10.232 -1.198 1.00 5.22 C ATOM 1722 C LEU A 106 0.387 -10.242 -2.078 1.00 35.22 C ATOM 1723 O LEU A 106 -0.645 -9.712 -1.684 1.00 54.01 O ATOM 1724 CB LEU A 106 1.796 -11.572 -0.443 1.00 73.10 C ATOM 1725 CG LEU A 106 0.729 -11.869 0.633 1.00 42.41 C ATOM 1726 CD1 LEU A 106 0.733 -13.350 1.005 1.00 51.02 C ATOM 1727 CD2 LEU A 106 0.954 -11.018 1.882 1.00 2.14 C ATOM 0 H LEU A 106 0.700 -8.873 0.093 1.00 11.44 H new ATOM 0 HA LEU A 106 2.523 -10.117 -1.842 1.00 5.22 H new ATOM 0 HB2 LEU A 106 1.779 -12.380 -1.174 1.00 73.10 H new ATOM 0 HB3 LEU A 106 2.777 -11.593 0.032 1.00 73.10 H new ATOM 0 HG LEU A 106 -0.243 -11.614 0.212 1.00 42.41 H new ATOM 0 HD11 LEU A 106 -0.026 -13.536 1.764 1.00 51.02 H new ATOM 0 HD12 LEU A 106 0.516 -13.948 0.120 1.00 51.02 H new ATOM 0 HD13 LEU A 106 1.713 -13.624 1.396 1.00 51.02 H new ATOM 0 HD21 LEU A 106 0.188 -11.249 2.622 1.00 2.14 H new ATOM 0 HD22 LEU A 106 1.938 -11.235 2.298 1.00 2.14 H new ATOM 0 HD23 LEU A 106 0.897 -9.962 1.618 1.00 2.14 H new ATOM 1739 N ASN A 107 0.490 -10.849 -3.269 1.00 40.43 N ATOM 1740 CA ASN A 107 -0.620 -10.927 -4.250 1.00 44.40 C ATOM 1741 C ASN A 107 -1.447 -9.622 -4.372 1.00 3.21 C ATOM 1742 O ASN A 107 -2.462 -9.444 -3.696 1.00 42.11 O ATOM 1743 CB ASN A 107 -1.541 -12.137 -3.977 1.00 2.12 C ATOM 1744 CG ASN A 107 -2.009 -12.246 -2.534 1.00 13.35 C ATOM 1745 OD1 ASN A 107 -1.423 -12.960 -1.729 1.00 13.11 O ATOM 1746 ND2 ASN A 107 -3.069 -11.542 -2.195 1.00 53.43 N ATOM 0 H ASN A 107 1.346 -11.304 -3.587 1.00 40.43 H new ATOM 0 HA ASN A 107 -0.135 -11.069 -5.216 1.00 44.40 H new ATOM 0 HB2 ASN A 107 -2.413 -12.070 -4.627 1.00 2.12 H new ATOM 0 HB3 ASN A 107 -1.012 -13.051 -4.247 1.00 2.12 H new ATOM 0 HD21 ASN A 107 -3.424 -11.582 -1.239 1.00 53.43 H new ATOM 0 HD22 ASN A 107 -3.535 -10.957 -2.888 1.00 53.43 H new ATOM 1753 N PRO A 108 -1.032 -8.697 -5.260 1.00 55.23 N ATOM 1754 CA PRO A 108 -1.734 -7.418 -5.456 1.00 12.25 C ATOM 1755 C PRO A 108 -3.016 -7.553 -6.302 1.00 22.13 C ATOM 1756 O PRO A 108 -3.083 -8.368 -7.227 1.00 42.12 O ATOM 1757 CB PRO A 108 -0.690 -6.569 -6.189 1.00 4.14 C ATOM 1758 CG PRO A 108 0.114 -7.556 -6.969 1.00 32.45 C ATOM 1759 CD PRO A 108 0.149 -8.821 -6.142 1.00 54.14 C ATOM 0 HA PRO A 108 -2.079 -6.994 -4.513 1.00 12.25 H new ATOM 0 HB2 PRO A 108 -1.163 -5.837 -6.843 1.00 4.14 H new ATOM 0 HB3 PRO A 108 -0.066 -6.015 -5.488 1.00 4.14 H new ATOM 0 HG2 PRO A 108 -0.337 -7.741 -7.944 1.00 32.45 H new ATOM 0 HG3 PRO A 108 1.121 -7.181 -7.149 1.00 32.45 H new ATOM 0 HD2 PRO A 108 0.089 -9.711 -6.769 1.00 54.14 H new ATOM 0 HD3 PRO A 108 1.072 -8.898 -5.567 1.00 54.14 H new ATOM 1767 N ILE A 109 -4.030 -6.745 -5.988 1.00 63.32 N ATOM 1768 CA ILE A 109 -5.289 -6.756 -6.743 1.00 71.14 C ATOM 1769 C ILE A 109 -5.199 -5.837 -7.975 1.00 31.12 C ATOM 1770 O ILE A 109 -4.941 -4.642 -7.838 1.00 41.00 O ATOM 1771 CB ILE A 109 -6.480 -6.307 -5.859 1.00 1.13 C ATOM 1772 CG1 ILE A 109 -6.594 -7.208 -4.618 1.00 5.05 C ATOM 1773 CG2 ILE A 109 -7.785 -6.320 -6.662 1.00 52.55 C ATOM 1774 CD1 ILE A 109 -6.826 -8.670 -4.940 1.00 63.44 C ATOM 0 H ILE A 109 -4.007 -6.076 -5.219 1.00 63.32 H new ATOM 0 HA ILE A 109 -5.458 -7.782 -7.070 1.00 71.14 H new ATOM 0 HB ILE A 109 -6.298 -5.285 -5.527 1.00 1.13 H new ATOM 0 HG12 ILE A 109 -5.681 -7.116 -4.029 1.00 5.05 H new ATOM 0 HG13 ILE A 109 -7.413 -6.849 -3.994 1.00 5.05 H new ATOM 0 HG21 ILE A 109 -8.609 -6.002 -6.023 1.00 52.55 H new ATOM 0 HG22 ILE A 109 -7.698 -5.639 -7.508 1.00 52.55 H new ATOM 0 HG23 ILE A 109 -7.978 -7.329 -7.027 1.00 52.55 H new ATOM 0 HD11 ILE A 109 -6.895 -9.240 -4.014 1.00 63.44 H new ATOM 0 HD12 ILE A 109 -7.754 -8.776 -5.502 1.00 63.44 H new ATOM 0 HD13 ILE A 109 -5.996 -9.047 -5.537 1.00 63.44 H new ATOM 1786 N PRO A 110 -5.420 -6.380 -9.190 1.00 4.05 N ATOM 1787 CA PRO A 110 -5.284 -5.614 -10.442 1.00 4.12 C ATOM 1788 C PRO A 110 -6.504 -4.734 -10.784 1.00 63.33 C ATOM 1789 O PRO A 110 -7.538 -4.778 -10.112 1.00 73.32 O ATOM 1790 CB PRO A 110 -5.120 -6.723 -11.488 1.00 1.14 C ATOM 1791 CG PRO A 110 -5.933 -7.854 -10.954 1.00 43.43 C ATOM 1792 CD PRO A 110 -5.809 -7.784 -9.449 1.00 40.32 C ATOM 0 HA PRO A 110 -4.461 -4.901 -10.384 1.00 4.12 H new ATOM 0 HB2 PRO A 110 -5.477 -6.403 -12.467 1.00 1.14 H new ATOM 0 HB3 PRO A 110 -4.074 -7.006 -11.607 1.00 1.14 H new ATOM 0 HG2 PRO A 110 -6.974 -7.766 -11.264 1.00 43.43 H new ATOM 0 HG3 PRO A 110 -5.568 -8.809 -11.331 1.00 43.43 H new ATOM 0 HD2 PRO A 110 -6.749 -8.035 -8.958 1.00 40.32 H new ATOM 0 HD3 PRO A 110 -5.059 -8.482 -9.077 1.00 40.32 H new ATOM 1800 N LYS A 111 -6.360 -3.923 -11.837 1.00 34.41 N ATOM 1801 CA LYS A 111 -7.467 -3.117 -12.373 1.00 52.52 C ATOM 1802 C LYS A 111 -7.400 -3.020 -13.908 1.00 0.01 C ATOM 1803 O LYS A 111 -6.389 -2.613 -14.475 1.00 64.22 O ATOM 1804 CB LYS A 111 -7.508 -1.706 -11.732 1.00 74.50 C ATOM 1805 CG LYS A 111 -6.147 -1.125 -11.321 1.00 2.42 C ATOM 1806 CD LYS A 111 -5.219 -0.794 -12.500 1.00 63.12 C ATOM 1807 CE LYS A 111 -5.669 0.431 -13.298 1.00 14.20 C ATOM 1808 NZ LYS A 111 -6.894 0.176 -14.107 1.00 54.42 N ATOM 0 H LYS A 111 -5.481 -3.805 -12.340 1.00 34.41 H new ATOM 0 HA LYS A 111 -8.393 -3.628 -12.109 1.00 52.52 H new ATOM 0 HB2 LYS A 111 -7.978 -1.020 -12.436 1.00 74.50 H new ATOM 0 HB3 LYS A 111 -8.148 -1.745 -10.850 1.00 74.50 H new ATOM 0 HG2 LYS A 111 -6.313 -0.219 -10.739 1.00 2.42 H new ATOM 0 HG3 LYS A 111 -5.644 -1.837 -10.666 1.00 2.42 H new ATOM 0 HD2 LYS A 111 -4.211 -0.623 -12.123 1.00 63.12 H new ATOM 0 HD3 LYS A 111 -5.168 -1.655 -13.167 1.00 63.12 H new ATOM 0 HE2 LYS A 111 -5.858 1.256 -12.612 1.00 14.20 H new ATOM 0 HE3 LYS A 111 -4.861 0.745 -13.959 1.00 14.20 H new ATOM 0 HZ1 LYS A 111 -6.903 0.808 -14.933 1.00 54.42 H new ATOM 0 HZ2 LYS A 111 -6.898 -0.813 -14.429 1.00 54.42 H new ATOM 0 HZ3 LYS A 111 -7.737 0.354 -13.525 1.00 54.42 H new ATOM 1822 N ASP A 112 -8.489 -3.394 -14.574 1.00 2.03 N ATOM 1823 CA ASP A 112 -8.570 -3.324 -16.038 1.00 14.25 C ATOM 1824 C ASP A 112 -8.761 -1.870 -16.521 1.00 74.32 C ATOM 1825 O ASP A 112 -8.507 -0.920 -15.775 1.00 32.22 O ATOM 1826 CB ASP A 112 -9.713 -4.218 -16.527 1.00 30.04 C ATOM 1827 CG ASP A 112 -11.050 -3.810 -15.939 1.00 33.34 C ATOM 1828 OD1 ASP A 112 -11.267 -4.039 -14.729 1.00 20.22 O ATOM 1829 OD2 ASP A 112 -11.884 -3.260 -16.679 1.00 14.32 O ATOM 0 H ASP A 112 -9.333 -3.750 -14.125 1.00 2.03 H new ATOM 0 HA ASP A 112 -7.630 -3.682 -16.459 1.00 14.25 H new ATOM 0 HB2 ASP A 112 -9.767 -4.173 -17.615 1.00 30.04 H new ATOM 0 HB3 ASP A 112 -9.502 -5.254 -16.261 1.00 30.04 H new ATOM 1834 N LYS A 113 -9.198 -1.693 -17.771 1.00 13.13 N ATOM 1835 CA LYS A 113 -9.352 -0.346 -18.347 1.00 71.23 C ATOM 1836 C LYS A 113 -10.786 0.197 -18.183 1.00 4.21 C ATOM 1837 O LYS A 113 -11.011 1.408 -18.248 1.00 31.41 O ATOM 1838 CB LYS A 113 -8.978 -0.338 -19.842 1.00 23.12 C ATOM 1839 CG LYS A 113 -7.572 -0.855 -20.156 1.00 74.42 C ATOM 1840 CD LYS A 113 -7.531 -2.380 -20.257 1.00 11.32 C ATOM 1841 CE LYS A 113 -6.139 -2.895 -20.608 1.00 53.11 C ATOM 1842 NZ LYS A 113 -6.152 -4.346 -20.932 1.00 21.14 N ATOM 0 H LYS A 113 -9.450 -2.454 -18.401 1.00 13.13 H new ATOM 0 HA LYS A 113 -8.672 0.304 -17.796 1.00 71.23 H new ATOM 0 HB2 LYS A 113 -9.702 -0.944 -20.386 1.00 23.12 H new ATOM 0 HB3 LYS A 113 -9.068 0.681 -20.219 1.00 23.12 H new ATOM 0 HG2 LYS A 113 -7.227 -0.420 -21.094 1.00 74.42 H new ATOM 0 HG3 LYS A 113 -6.882 -0.525 -19.379 1.00 74.42 H new ATOM 0 HD2 LYS A 113 -7.849 -2.814 -19.309 1.00 11.32 H new ATOM 0 HD3 LYS A 113 -8.241 -2.712 -21.014 1.00 11.32 H new ATOM 0 HE2 LYS A 113 -5.749 -2.336 -21.459 1.00 53.11 H new ATOM 0 HE3 LYS A 113 -5.464 -2.715 -19.772 1.00 53.11 H new ATOM 0 HZ1 LYS A 113 -5.188 -4.658 -21.165 1.00 21.14 H new ATOM 0 HZ2 LYS A 113 -6.501 -4.882 -20.112 1.00 21.14 H new ATOM 0 HZ3 LYS A 113 -6.777 -4.514 -21.746 1.00 21.14 H new ATOM 1856 N LYS A 114 -11.753 -0.693 -17.968 1.00 13.54 N ATOM 1857 CA LYS A 114 -13.163 -0.294 -17.906 1.00 13.22 C ATOM 1858 C LYS A 114 -13.528 0.267 -16.523 1.00 0.05 C ATOM 1859 O LYS A 114 -14.001 -0.457 -15.643 1.00 13.42 O ATOM 1860 CB LYS A 114 -14.068 -1.485 -18.261 1.00 22.41 C ATOM 1861 CG LYS A 114 -13.727 -2.134 -19.601 1.00 13.45 C ATOM 1862 CD LYS A 114 -14.612 -3.342 -19.891 1.00 14.20 C ATOM 1863 CE LYS A 114 -16.071 -2.944 -20.089 1.00 32.33 C ATOM 1864 NZ LYS A 114 -16.251 -2.049 -21.265 1.00 1.43 N ATOM 0 H LYS A 114 -11.590 -1.691 -17.834 1.00 13.54 H new ATOM 0 HA LYS A 114 -13.320 0.500 -18.636 1.00 13.22 H new ATOM 0 HB2 LYS A 114 -13.993 -2.235 -17.474 1.00 22.41 H new ATOM 0 HB3 LYS A 114 -15.105 -1.149 -18.283 1.00 22.41 H new ATOM 0 HG2 LYS A 114 -13.842 -1.400 -20.399 1.00 13.45 H new ATOM 0 HG3 LYS A 114 -12.682 -2.442 -19.599 1.00 13.45 H new ATOM 0 HD2 LYS A 114 -14.250 -3.851 -20.784 1.00 14.20 H new ATOM 0 HD3 LYS A 114 -14.538 -4.052 -19.067 1.00 14.20 H new ATOM 0 HE2 LYS A 114 -16.677 -3.841 -20.220 1.00 32.33 H new ATOM 0 HE3 LYS A 114 -16.435 -2.442 -19.192 1.00 32.33 H new ATOM 0 HZ1 LYS A 114 -17.262 -1.980 -21.497 1.00 1.43 H new ATOM 0 HZ2 LYS A 114 -15.882 -1.103 -21.041 1.00 1.43 H new ATOM 0 HZ3 LYS A 114 -15.735 -2.438 -22.080 1.00 1.43 H new ATOM 1878 N TRP A 115 -13.281 1.560 -16.336 1.00 41.44 N ATOM 1879 CA TRP A 115 -13.618 2.257 -15.082 1.00 24.44 C ATOM 1880 C TRP A 115 -15.062 2.785 -15.100 1.00 42.32 C ATOM 1881 O TRP A 115 -15.541 3.360 -14.118 1.00 33.14 O ATOM 1882 CB TRP A 115 -12.640 3.424 -14.856 1.00 1.24 C ATOM 1883 CG TRP A 115 -12.686 4.465 -15.943 1.00 30.34 C ATOM 1884 CD1 TRP A 115 -12.023 4.434 -17.137 1.00 65.53 C ATOM 1885 CD2 TRP A 115 -13.435 5.690 -15.933 1.00 64.40 C ATOM 1886 NE1 TRP A 115 -12.320 5.556 -17.870 1.00 64.45 N ATOM 1887 CE2 TRP A 115 -13.183 6.341 -17.153 1.00 14.13 C ATOM 1888 CE3 TRP A 115 -14.296 6.297 -15.014 1.00 64.12 C ATOM 1889 CZ2 TRP A 115 -13.757 7.567 -17.478 1.00 22.40 C ATOM 1890 CZ3 TRP A 115 -14.866 7.512 -15.337 1.00 1.01 C ATOM 1891 CH2 TRP A 115 -14.596 8.136 -16.559 1.00 11.35 C ATOM 0 H TRP A 115 -12.845 2.157 -17.039 1.00 41.44 H new ATOM 0 HA TRP A 115 -13.532 1.540 -14.266 1.00 24.44 H new ATOM 0 HB2 TRP A 115 -12.866 3.897 -13.901 1.00 1.24 H new ATOM 0 HB3 TRP A 115 -11.626 3.030 -14.784 1.00 1.24 H new ATOM 0 HD1 TRP A 115 -11.362 3.642 -17.457 1.00 65.53 H new ATOM 0 HE1 TRP A 115 -11.957 5.770 -18.799 1.00 64.45 H new ATOM 0 HE3 TRP A 115 -14.511 5.823 -14.068 1.00 64.12 H new ATOM 0 HZ2 TRP A 115 -13.548 8.051 -18.421 1.00 22.40 H new ATOM 0 HZ3 TRP A 115 -15.532 7.989 -14.634 1.00 1.01 H new ATOM 0 HH2 TRP A 115 -15.059 9.086 -16.782 1.00 11.35 H new ATOM 1902 N ILE A 116 -15.741 2.587 -16.230 1.00 53.52 N ATOM 1903 CA ILE A 116 -17.108 3.098 -16.435 1.00 72.41 C ATOM 1904 C ILE A 116 -18.117 2.639 -15.354 1.00 23.05 C ATOM 1905 O ILE A 116 -18.113 1.451 -14.965 1.00 36.24 O ATOM 1906 CB ILE A 116 -17.653 2.769 -17.867 1.00 63.05 C ATOM 1907 CG1 ILE A 116 -17.169 1.395 -18.395 1.00 54.10 C ATOM 1908 CG2 ILE A 116 -17.257 3.874 -18.846 1.00 53.14 C ATOM 1909 CD1 ILE A 116 -17.707 0.188 -17.655 1.00 71.12 C ATOM 1910 OXT ILE A 116 -18.937 3.479 -14.917 1.00 36.24 O ATOM 0 H ILE A 116 -15.367 2.072 -17.027 1.00 53.52 H new ATOM 0 HA ILE A 116 -17.017 4.180 -16.338 1.00 72.41 H new ATOM 0 HB ILE A 116 -18.739 2.715 -17.787 1.00 63.05 H new ATOM 0 HG12 ILE A 116 -17.448 1.310 -19.445 1.00 54.10 H new ATOM 0 HG13 ILE A 116 -16.080 1.371 -18.351 1.00 54.10 H new ATOM 0 HG21 ILE A 116 -17.641 3.636 -19.838 1.00 53.14 H new ATOM 0 HG22 ILE A 116 -17.677 4.823 -18.513 1.00 53.14 H new ATOM 0 HG23 ILE A 116 -16.171 3.952 -18.886 1.00 53.14 H new ATOM 0 HD11 ILE A 116 -17.307 -0.722 -18.103 1.00 71.12 H new ATOM 0 HD12 ILE A 116 -17.406 0.239 -16.609 1.00 71.12 H new ATOM 0 HD13 ILE A 116 -18.795 0.177 -17.720 1.00 71.12 H new TER 1922 ILE A 116