USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 669 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 41 LYS NZ :NH3+ 154:sc= -0.884 (180deg=-0.919) USER MOD Set 1.2: A 54 THR OG1 : rot 40:sc= 1.04 USER MOD Set 2.1: A 51 CYS SG : rot -20:sc= -1.77! USER MOD Set 2.2: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.053) USER MOD Single : A 4 HIS : no HD1:sc= -0.0717 X(o=-0.072,f=-0.0023) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 13 ASN : amide:sc= -0.0732 X(o=-0.073,f=-0.12) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -163:sc= -1.48 (180deg=-2.02!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.643 K(o=0.64,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0031) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0162 (180deg=-0.186) USER MOD Single : A 35 SER OG : rot 160:sc= 1.3 USER MOD Single : A 36 GLN : amide:sc= 0.792 K(o=0.79,f=-0.08) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 30:sc= -2.2! USER MOD Single : A 47 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.021) USER MOD Single : A 48 CYS SG : rot 25:sc= -5.45! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -3.98 K(o=-4,f=-0.11) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -26:sc= 0.233 USER MOD Single : A 59 THR OG1 : rot -16:sc= 0.78 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -0.0932 USER MOD Single : A 67 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5.8!) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0.102 (180deg=-0.141) USER MOD Single : A 72 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.42) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= 0.852 K(o=0.85,f=-6.7!) USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.14) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.465 -1.989 -2.531 1.00 19.14 N ATOM 2 CA GLY A 1 38.510 -1.368 -1.605 1.00 18.53 C ATOM 3 C GLY A 1 38.976 -0.010 -1.139 1.00 18.04 C ATOM 4 O GLY A 1 38.430 1.015 -1.561 1.00 17.99 O ATOM 0 H1 GLY A 1 39.107 -2.920 -2.827 1.00 19.14 H new ATOM 0 H2 GLY A 1 39.583 -1.382 -3.367 1.00 19.14 H new ATOM 0 H3 GLY A 1 40.383 -2.106 -2.056 1.00 19.14 H new ATOM 0 HA2 GLY A 1 37.541 -1.270 -2.095 1.00 18.53 H new ATOM 0 HA3 GLY A 1 38.367 -2.018 -0.742 1.00 18.53 H new ATOM 10 N HIS A 2 39.972 0.003 -0.245 1.00 17.81 N ATOM 11 CA HIS A 2 40.577 1.229 0.313 1.00 17.49 C ATOM 12 C HIS A 2 39.585 2.065 1.129 1.00 16.98 C ATOM 13 O HIS A 2 39.857 3.211 1.463 1.00 17.17 O ATOM 14 CB HIS A 2 41.277 2.101 -0.776 1.00 17.97 C ATOM 15 CG HIS A 2 42.482 1.455 -1.437 1.00 18.64 C ATOM 16 ND1 HIS A 2 43.732 1.407 -0.847 1.00 19.07 N ATOM 17 CD2 HIS A 2 42.621 0.837 -2.636 1.00 19.08 C ATOM 18 CE1 HIS A 2 44.578 0.794 -1.648 1.00 19.72 C ATOM 19 NE2 HIS A 2 43.933 0.436 -2.737 1.00 19.74 N ATOM 0 H HIS A 2 40.391 -0.852 0.121 1.00 17.81 H new ATOM 0 HA HIS A 2 41.348 0.882 1.001 1.00 17.49 H new ATOM 0 HB2 HIS A 2 40.547 2.348 -1.547 1.00 17.97 H new ATOM 0 HB3 HIS A 2 41.591 3.041 -0.321 1.00 17.97 H new ATOM 0 HD2 HIS A 2 41.846 0.688 -3.374 1.00 19.08 H new ATOM 0 HE1 HIS A 2 45.624 0.615 -1.445 1.00 19.72 H new ATOM 0 HE2 HIS A 2 44.341 -0.060 -3.530 1.00 19.74 H new ATOM 28 N HIS A 3 38.450 1.468 1.473 1.00 16.46 N ATOM 29 CA HIS A 3 37.404 2.123 2.259 1.00 16.07 C ATOM 30 C HIS A 3 36.697 1.076 3.104 1.00 15.28 C ATOM 31 O HIS A 3 36.809 -0.120 2.826 1.00 15.31 O ATOM 32 CB HIS A 3 36.361 2.832 1.350 1.00 16.31 C ATOM 33 CG HIS A 3 36.917 3.941 0.493 1.00 16.79 C ATOM 34 ND1 HIS A 3 37.086 5.246 0.941 1.00 17.14 N ATOM 35 CD2 HIS A 3 37.361 3.935 -0.793 1.00 17.13 C ATOM 36 CE1 HIS A 3 37.601 5.974 -0.031 1.00 17.67 C ATOM 37 NE2 HIS A 3 37.776 5.202 -1.086 1.00 17.67 N ATOM 0 H HIS A 3 38.225 0.508 1.213 1.00 16.46 H new ATOM 0 HA HIS A 3 37.872 2.880 2.888 1.00 16.07 H new ATOM 0 HB2 HIS A 3 35.900 2.087 0.701 1.00 16.31 H new ATOM 0 HB3 HIS A 3 35.570 3.240 1.979 1.00 16.31 H new ATOM 0 HD2 HIS A 3 37.381 3.085 -1.459 1.00 17.13 H new ATOM 0 HE1 HIS A 3 37.839 7.026 0.027 1.00 17.67 H new ATOM 0 HE2 HIS A 3 38.161 5.504 -1.981 1.00 17.67 H new ATOM 46 N HIS A 4 35.987 1.512 4.131 1.00 14.74 N ATOM 47 CA HIS A 4 35.232 0.587 4.995 1.00 14.10 C ATOM 48 C HIS A 4 34.041 -0.012 4.233 1.00 13.70 C ATOM 49 O HIS A 4 33.462 0.641 3.370 1.00 14.01 O ATOM 50 CB HIS A 4 34.759 1.281 6.312 1.00 13.88 C ATOM 51 CG HIS A 4 33.751 2.400 6.150 1.00 13.85 C ATOM 52 ND1 HIS A 4 32.460 2.344 6.652 1.00 14.10 N ATOM 53 CD2 HIS A 4 33.863 3.611 5.571 1.00 13.80 C ATOM 54 CE1 HIS A 4 31.833 3.463 6.373 1.00 14.18 C ATOM 55 NE2 HIS A 4 32.663 4.245 5.714 1.00 14.00 N ATOM 0 H HIS A 4 35.910 2.494 4.395 1.00 14.74 H new ATOM 0 HA HIS A 4 35.904 -0.223 5.279 1.00 14.10 H new ATOM 0 HB2 HIS A 4 34.327 0.522 6.964 1.00 13.88 H new ATOM 0 HB3 HIS A 4 35.635 1.680 6.824 1.00 13.88 H new ATOM 0 HD2 HIS A 4 34.741 4.007 5.083 1.00 13.80 H new ATOM 0 HE1 HIS A 4 30.813 3.701 6.638 1.00 14.18 H new ATOM 0 HE2 HIS A 4 32.443 5.178 5.365 1.00 14.00 H new ATOM 64 N HIS A 5 33.679 -1.230 4.564 1.00 13.18 N ATOM 65 CA HIS A 5 32.613 -1.930 3.867 1.00 12.93 C ATOM 66 C HIS A 5 31.626 -2.541 4.852 1.00 12.32 C ATOM 67 O HIS A 5 32.024 -3.097 5.874 1.00 12.40 O ATOM 68 CB HIS A 5 33.176 -3.038 2.929 1.00 13.06 C ATOM 69 CG HIS A 5 34.070 -4.044 3.614 1.00 13.43 C ATOM 70 ND1 HIS A 5 33.598 -5.120 4.365 1.00 13.64 N ATOM 71 CD2 HIS A 5 35.417 -4.116 3.679 1.00 13.81 C ATOM 72 CE1 HIS A 5 34.626 -5.798 4.836 1.00 14.12 C ATOM 73 NE2 HIS A 5 35.727 -5.206 4.442 1.00 14.24 N ATOM 0 H HIS A 5 34.109 -1.765 5.319 1.00 13.18 H new ATOM 0 HA HIS A 5 32.092 -1.193 3.255 1.00 12.93 H new ATOM 0 HB2 HIS A 5 32.341 -3.567 2.470 1.00 13.06 H new ATOM 0 HB3 HIS A 5 33.735 -2.564 2.122 1.00 13.06 H new ATOM 0 HD2 HIS A 5 36.118 -3.438 3.215 1.00 13.81 H new ATOM 0 HE1 HIS A 5 34.570 -6.689 5.443 1.00 14.12 H new ATOM 0 HE2 HIS A 5 36.673 -5.513 4.671 1.00 14.24 H new ATOM 82 N HIS A 6 30.355 -2.441 4.536 1.00 11.88 N ATOM 83 CA HIS A 6 29.299 -3.008 5.350 1.00 11.42 C ATOM 84 C HIS A 6 28.081 -3.227 4.453 1.00 10.42 C ATOM 85 O HIS A 6 27.793 -2.401 3.584 1.00 10.22 O ATOM 86 CB HIS A 6 28.959 -2.059 6.523 1.00 11.97 C ATOM 87 CG HIS A 6 28.039 -2.660 7.551 1.00 12.55 C ATOM 88 ND1 HIS A 6 26.846 -2.088 7.942 1.00 12.82 N ATOM 89 CD2 HIS A 6 28.177 -3.776 8.302 1.00 13.11 C ATOM 90 CE1 HIS A 6 26.301 -2.829 8.892 1.00 13.49 C ATOM 91 NE2 HIS A 6 27.092 -3.857 9.127 1.00 13.67 N ATOM 0 H HIS A 6 30.020 -1.961 3.701 1.00 11.88 H new ATOM 0 HA HIS A 6 29.616 -3.958 5.780 1.00 11.42 H new ATOM 0 HB2 HIS A 6 29.885 -1.757 7.012 1.00 11.97 H new ATOM 0 HB3 HIS A 6 28.499 -1.155 6.124 1.00 11.97 H new ATOM 0 HD2 HIS A 6 28.997 -4.477 8.257 1.00 13.11 H new ATOM 0 HE1 HIS A 6 25.365 -2.626 9.391 1.00 13.49 H new ATOM 0 HE2 HIS A 6 26.921 -4.593 9.813 1.00 13.67 H new ATOM 100 N HIS A 7 27.406 -4.339 4.621 1.00 9.98 N ATOM 101 CA HIS A 7 26.237 -4.650 3.803 1.00 9.18 C ATOM 102 C HIS A 7 25.102 -5.141 4.691 1.00 9.04 C ATOM 103 O HIS A 7 25.311 -6.032 5.507 1.00 9.71 O ATOM 104 CB HIS A 7 26.563 -5.725 2.713 1.00 9.12 C ATOM 105 CG HIS A 7 27.562 -5.324 1.643 1.00 9.44 C ATOM 106 ND1 HIS A 7 27.186 -4.949 0.368 1.00 9.56 N ATOM 107 CD2 HIS A 7 28.927 -5.287 1.644 1.00 9.92 C ATOM 108 CE1 HIS A 7 28.255 -4.694 -0.360 1.00 10.08 C ATOM 109 NE2 HIS A 7 29.325 -4.900 0.381 1.00 10.30 N ATOM 0 H HIS A 7 27.639 -5.050 5.315 1.00 9.98 H new ATOM 0 HA HIS A 7 25.935 -3.737 3.290 1.00 9.18 H new ATOM 0 HB2 HIS A 7 26.940 -6.616 3.215 1.00 9.12 H new ATOM 0 HB3 HIS A 7 25.631 -6.006 2.222 1.00 9.12 H new ATOM 0 HD2 HIS A 7 29.574 -5.518 2.477 1.00 9.92 H new ATOM 0 HE1 HIS A 7 28.254 -4.371 -1.390 1.00 10.08 H new ATOM 0 HE2 HIS A 7 30.291 -4.791 0.071 1.00 10.30 H new ATOM 118 N LEU A 8 23.911 -4.528 4.521 1.00 8.37 N ATOM 119 CA LEU A 8 22.687 -4.877 5.278 1.00 8.37 C ATOM 120 C LEU A 8 22.857 -4.629 6.806 1.00 8.86 C ATOM 121 O LEU A 8 23.869 -4.054 7.246 1.00 9.23 O ATOM 122 CB LEU A 8 22.214 -6.348 5.012 1.00 9.01 C ATOM 123 CG LEU A 8 21.634 -6.682 3.619 1.00 9.38 C ATOM 124 CD1 LEU A 8 22.667 -6.537 2.509 1.00 9.11 C ATOM 125 CD2 LEU A 8 21.041 -8.081 3.604 1.00 10.10 C ATOM 0 H LEU A 8 23.770 -3.772 3.851 1.00 8.37 H new ATOM 0 HA LEU A 8 21.908 -4.210 4.909 1.00 8.37 H new ATOM 0 HB2 LEU A 8 23.063 -7.009 5.188 1.00 9.01 H new ATOM 0 HB3 LEU A 8 21.458 -6.596 5.757 1.00 9.01 H new ATOM 0 HG LEU A 8 20.844 -5.956 3.425 1.00 9.38 H new ATOM 0 HD11 LEU A 8 22.209 -6.783 1.551 1.00 9.11 H new ATOM 0 HD12 LEU A 8 23.032 -5.510 2.484 1.00 9.11 H new ATOM 0 HD13 LEU A 8 23.500 -7.214 2.697 1.00 9.11 H new ATOM 0 HD21 LEU A 8 20.639 -8.295 2.614 1.00 10.10 H new ATOM 0 HD22 LEU A 8 21.817 -8.808 3.845 1.00 10.10 H new ATOM 0 HD23 LEU A 8 20.242 -8.145 4.342 1.00 10.10 H new ATOM 137 N GLU A 9 21.820 -5.029 7.593 1.00 9.12 N ATOM 138 CA GLU A 9 21.800 -4.910 9.086 1.00 9.86 C ATOM 139 C GLU A 9 21.830 -3.411 9.516 1.00 9.89 C ATOM 140 O GLU A 9 22.083 -3.060 10.685 1.00 10.56 O ATOM 141 CB GLU A 9 22.987 -5.716 9.682 1.00 10.56 C ATOM 142 CG GLU A 9 22.994 -5.878 11.202 1.00 11.13 C ATOM 143 CD GLU A 9 21.756 -6.575 11.734 1.00 11.53 C ATOM 144 OE1 GLU A 9 21.605 -7.781 11.511 1.00 11.87 O ATOM 145 OE2 GLU A 9 20.946 -5.916 12.425 1.00 11.70 O ATOM 0 H GLU A 9 20.970 -5.445 7.212 1.00 9.12 H new ATOM 0 HA GLU A 9 20.874 -5.332 9.478 1.00 9.86 H new ATOM 0 HB2 GLU A 9 22.989 -6.708 9.231 1.00 10.56 H new ATOM 0 HB3 GLU A 9 23.916 -5.229 9.385 1.00 10.56 H new ATOM 0 HG2 GLU A 9 23.877 -6.445 11.496 1.00 11.13 H new ATOM 0 HG3 GLU A 9 23.077 -4.895 11.665 1.00 11.13 H new ATOM 152 N GLY A 10 21.528 -2.549 8.567 1.00 9.36 N ATOM 153 CA GLY A 10 21.505 -1.140 8.791 1.00 9.60 C ATOM 154 C GLY A 10 21.186 -0.446 7.505 1.00 8.87 C ATOM 155 O GLY A 10 20.766 -1.102 6.548 1.00 9.04 O ATOM 0 H GLY A 10 21.291 -2.822 7.613 1.00 9.36 H new ATOM 0 HA2 GLY A 10 20.760 -0.891 9.547 1.00 9.60 H new ATOM 0 HA3 GLY A 10 22.470 -0.804 9.171 1.00 9.60 H new ATOM 159 N GLY A 11 21.368 0.845 7.459 1.00 8.30 N ATOM 160 CA GLY A 11 21.119 1.570 6.248 1.00 7.80 C ATOM 161 C GLY A 11 22.404 1.847 5.507 1.00 8.13 C ATOM 162 O GLY A 11 23.080 2.845 5.772 1.00 8.45 O ATOM 0 H GLY A 11 21.687 1.413 8.244 1.00 8.30 H new ATOM 0 HA2 GLY A 11 20.444 0.999 5.611 1.00 7.80 H new ATOM 0 HA3 GLY A 11 20.619 2.511 6.480 1.00 7.80 H new ATOM 166 N GLY A 12 22.763 0.964 4.605 1.00 8.34 N ATOM 167 CA GLY A 12 23.987 1.125 3.849 1.00 8.95 C ATOM 168 C GLY A 12 23.734 1.757 2.499 1.00 8.79 C ATOM 169 O GLY A 12 23.964 1.147 1.463 1.00 9.24 O ATOM 0 H GLY A 12 22.227 0.127 4.375 1.00 8.34 H new ATOM 0 HA2 GLY A 12 24.685 1.743 4.414 1.00 8.95 H new ATOM 0 HA3 GLY A 12 24.460 0.153 3.712 1.00 8.95 H new ATOM 173 N ASN A 13 23.263 2.977 2.515 1.00 8.39 N ATOM 174 CA ASN A 13 22.954 3.690 1.291 1.00 8.53 C ATOM 175 C ASN A 13 24.192 4.353 0.698 1.00 9.29 C ATOM 176 O ASN A 13 24.794 5.257 1.279 1.00 9.68 O ATOM 177 CB ASN A 13 21.782 4.694 1.487 1.00 8.84 C ATOM 178 CG ASN A 13 22.038 5.740 2.559 1.00 9.25 C ATOM 179 OD1 ASN A 13 21.737 5.525 3.728 1.00 9.50 O ATOM 180 ND2 ASN A 13 22.552 6.880 2.164 1.00 9.58 N ATOM 0 H ASN A 13 23.082 3.506 3.368 1.00 8.39 H new ATOM 0 HA ASN A 13 22.614 2.953 0.563 1.00 8.53 H new ATOM 0 HB2 ASN A 13 21.587 5.198 0.541 1.00 8.84 H new ATOM 0 HB3 ASN A 13 20.880 4.138 1.744 1.00 8.84 H new ATOM 0 HD21 ASN A 13 22.715 7.627 2.839 1.00 9.58 H new ATOM 0 HD22 ASN A 13 22.789 7.019 1.182 1.00 9.58 H new ATOM 187 N ALA A 14 24.581 3.867 -0.447 1.00 9.70 N ATOM 188 CA ALA A 14 25.703 4.404 -1.172 1.00 10.58 C ATOM 189 C ALA A 14 25.243 5.542 -2.084 1.00 11.08 C ATOM 190 O ALA A 14 24.039 5.862 -2.151 1.00 11.12 O ATOM 191 CB ALA A 14 26.366 3.303 -1.989 1.00 10.70 C ATOM 0 H ALA A 14 24.126 3.080 -0.909 1.00 9.70 H new ATOM 0 HA ALA A 14 26.430 4.800 -0.463 1.00 10.58 H new ATOM 0 HB1 ALA A 14 27.214 3.716 -2.535 1.00 10.70 H new ATOM 0 HB2 ALA A 14 26.713 2.514 -1.322 1.00 10.70 H new ATOM 0 HB3 ALA A 14 25.646 2.890 -2.695 1.00 10.70 H new ATOM 197 N GLN A 15 26.188 6.130 -2.804 1.00 11.67 N ATOM 198 CA GLN A 15 25.882 7.222 -3.701 1.00 12.40 C ATOM 199 C GLN A 15 25.153 6.751 -4.931 1.00 12.25 C ATOM 200 O GLN A 15 25.040 5.545 -5.186 1.00 12.05 O ATOM 201 CB GLN A 15 27.116 8.065 -4.051 1.00 13.27 C ATOM 202 CG GLN A 15 27.735 8.776 -2.854 1.00 13.75 C ATOM 203 CD GLN A 15 28.886 9.674 -3.247 1.00 14.68 C ATOM 204 OE1 GLN A 15 28.692 10.843 -3.540 1.00 15.07 O ATOM 205 NE2 GLN A 15 30.082 9.142 -3.239 1.00 15.18 N ATOM 0 H GLN A 15 27.173 5.865 -2.780 1.00 11.67 H new ATOM 0 HA GLN A 15 25.205 7.883 -3.160 1.00 12.40 H new ATOM 0 HB2 GLN A 15 27.867 7.420 -4.507 1.00 13.27 H new ATOM 0 HB3 GLN A 15 26.837 8.808 -4.798 1.00 13.27 H new ATOM 0 HG2 GLN A 15 26.970 9.369 -2.352 1.00 13.75 H new ATOM 0 HG3 GLN A 15 28.085 8.034 -2.136 1.00 13.75 H new ATOM 0 HE21 GLN A 15 30.202 8.161 -2.988 1.00 15.18 H new ATOM 0 HE22 GLN A 15 30.894 9.709 -3.484 1.00 15.18 H new ATOM 214 N LYS A 16 24.628 7.719 -5.673 1.00 12.53 N ATOM 215 CA LYS A 16 23.761 7.541 -6.842 1.00 12.66 C ATOM 216 C LYS A 16 22.337 7.233 -6.347 1.00 11.86 C ATOM 217 O LYS A 16 21.353 7.583 -6.997 1.00 12.01 O ATOM 218 CB LYS A 16 24.273 6.463 -7.840 1.00 12.80 C ATOM 219 CG LYS A 16 23.447 6.363 -9.127 1.00 13.55 C ATOM 220 CD LYS A 16 23.603 7.602 -10.034 1.00 14.34 C ATOM 221 CE LYS A 16 24.879 7.559 -10.916 1.00 15.06 C ATOM 222 NZ LYS A 16 26.145 7.396 -10.148 1.00 15.42 N ATOM 0 H LYS A 16 24.802 8.703 -5.468 1.00 12.53 H new ATOM 0 HA LYS A 16 23.767 8.468 -7.415 1.00 12.66 H new ATOM 0 HB2 LYS A 16 25.308 6.686 -8.101 1.00 12.80 H new ATOM 0 HB3 LYS A 16 24.272 5.493 -7.343 1.00 12.80 H new ATOM 0 HG2 LYS A 16 23.749 5.473 -9.679 1.00 13.55 H new ATOM 0 HG3 LYS A 16 22.395 6.236 -8.870 1.00 13.55 H new ATOM 0 HD2 LYS A 16 22.727 7.685 -10.678 1.00 14.34 H new ATOM 0 HD3 LYS A 16 23.629 8.498 -9.413 1.00 14.34 H new ATOM 0 HE2 LYS A 16 24.789 6.737 -11.626 1.00 15.06 H new ATOM 0 HE3 LYS A 16 24.936 8.479 -11.499 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 26.952 7.660 -10.749 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 26.123 8.009 -9.308 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 26.245 6.405 -9.850 1.00 15.42 H new ATOM 236 N SER A 17 22.271 6.555 -5.183 1.00 11.21 N ATOM 237 CA SER A 17 21.050 6.211 -4.433 1.00 10.50 C ATOM 238 C SER A 17 20.203 5.123 -5.133 1.00 10.66 C ATOM 239 O SER A 17 19.680 4.224 -4.484 1.00 10.17 O ATOM 240 CB SER A 17 20.218 7.477 -4.097 1.00 10.42 C ATOM 241 OG SER A 17 19.087 7.169 -3.295 1.00 10.72 O ATOM 0 H SER A 17 23.113 6.216 -4.718 1.00 11.21 H new ATOM 0 HA SER A 17 21.374 5.773 -3.489 1.00 10.50 H new ATOM 0 HB2 SER A 17 20.848 8.198 -3.575 1.00 10.42 H new ATOM 0 HB3 SER A 17 19.889 7.952 -5.022 1.00 10.42 H new ATOM 0 HG SER A 17 18.589 7.991 -3.103 1.00 10.72 H new ATOM 247 N ALA A 18 20.132 5.189 -6.440 1.00 11.52 N ATOM 248 CA ALA A 18 19.329 4.264 -7.250 1.00 11.99 C ATOM 249 C ALA A 18 19.687 2.798 -6.995 1.00 11.45 C ATOM 250 O ALA A 18 18.825 1.985 -6.692 1.00 11.42 O ATOM 251 CB ALA A 18 19.490 4.598 -8.718 1.00 13.14 C ATOM 0 H ALA A 18 20.630 5.889 -6.991 1.00 11.52 H new ATOM 0 HA ALA A 18 18.287 4.390 -6.955 1.00 11.99 H new ATOM 0 HB1 ALA A 18 18.893 3.909 -9.315 1.00 13.14 H new ATOM 0 HB2 ALA A 18 19.154 5.619 -8.898 1.00 13.14 H new ATOM 0 HB3 ALA A 18 20.539 4.506 -8.999 1.00 13.14 H new ATOM 257 N MET A 19 20.962 2.481 -7.087 1.00 11.20 N ATOM 258 CA MET A 19 21.419 1.113 -6.891 1.00 10.90 C ATOM 259 C MET A 19 21.641 0.810 -5.411 1.00 9.99 C ATOM 260 O MET A 19 21.987 -0.301 -5.046 1.00 9.63 O ATOM 261 CB MET A 19 22.692 0.815 -7.724 1.00 11.94 C ATOM 262 CG MET A 19 23.915 1.643 -7.352 1.00 12.49 C ATOM 263 SD MET A 19 25.348 1.261 -8.384 1.00 13.40 S ATOM 264 CE MET A 19 26.578 2.350 -7.674 1.00 14.08 C ATOM 0 H MET A 19 21.704 3.149 -7.296 1.00 11.20 H new ATOM 0 HA MET A 19 20.631 0.450 -7.250 1.00 10.90 H new ATOM 0 HB2 MET A 19 22.940 -0.241 -7.615 1.00 11.94 H new ATOM 0 HB3 MET A 19 22.466 0.982 -8.777 1.00 11.94 H new ATOM 0 HG2 MET A 19 23.675 2.702 -7.446 1.00 12.49 H new ATOM 0 HG3 MET A 19 24.166 1.465 -6.306 1.00 12.49 H new ATOM 0 HE1 MET A 19 27.522 2.229 -8.206 1.00 14.08 H new ATOM 0 HE2 MET A 19 26.242 3.383 -7.760 1.00 14.08 H new ATOM 0 HE3 MET A 19 26.720 2.101 -6.622 1.00 14.08 H new ATOM 274 N ALA A 20 21.433 1.799 -4.563 1.00 9.77 N ATOM 275 CA ALA A 20 21.604 1.630 -3.132 1.00 9.13 C ATOM 276 C ALA A 20 20.290 1.204 -2.505 1.00 8.17 C ATOM 277 O ALA A 20 20.255 0.509 -1.503 1.00 7.84 O ATOM 278 CB ALA A 20 22.072 2.936 -2.507 1.00 9.45 C ATOM 0 H ALA A 20 21.143 2.736 -4.843 1.00 9.77 H new ATOM 0 HA ALA A 20 22.354 0.860 -2.952 1.00 9.13 H new ATOM 0 HB1 ALA A 20 22.198 2.801 -1.433 1.00 9.45 H new ATOM 0 HB2 ALA A 20 23.023 3.231 -2.950 1.00 9.45 H new ATOM 0 HB3 ALA A 20 21.330 3.713 -2.690 1.00 9.45 H new ATOM 284 N ARG A 21 19.213 1.625 -3.132 1.00 7.98 N ATOM 285 CA ARG A 21 17.873 1.339 -2.656 1.00 7.29 C ATOM 286 C ARG A 21 17.310 0.115 -3.372 1.00 7.26 C ATOM 287 O ARG A 21 16.133 -0.191 -3.264 1.00 7.10 O ATOM 288 CB ARG A 21 16.971 2.556 -2.902 1.00 7.43 C ATOM 289 CG ARG A 21 17.470 3.845 -2.249 1.00 8.11 C ATOM 290 CD ARG A 21 16.555 5.017 -2.565 1.00 8.51 C ATOM 291 NE ARG A 21 15.192 4.821 -2.033 1.00 8.99 N ATOM 292 CZ ARG A 21 14.084 5.391 -2.529 1.00 9.65 C ATOM 293 NH1 ARG A 21 14.154 6.120 -3.631 1.00 9.90 N ATOM 294 NH2 ARG A 21 12.903 5.190 -1.942 1.00 10.29 N ATOM 0 H ARG A 21 19.240 2.177 -3.989 1.00 7.98 H new ATOM 0 HA ARG A 21 17.910 1.129 -1.587 1.00 7.29 H new ATOM 0 HB2 ARG A 21 16.881 2.717 -3.976 1.00 7.43 H new ATOM 0 HB3 ARG A 21 15.971 2.335 -2.528 1.00 7.43 H new ATOM 0 HG2 ARG A 21 17.529 3.708 -1.169 1.00 8.11 H new ATOM 0 HG3 ARG A 21 18.479 4.065 -2.598 1.00 8.11 H new ATOM 0 HD2 ARG A 21 16.979 5.930 -2.146 1.00 8.51 H new ATOM 0 HD3 ARG A 21 16.505 5.156 -3.645 1.00 8.51 H new ATOM 0 HE ARG A 21 15.085 4.205 -1.227 1.00 8.99 H new ATOM 0 HH11 ARG A 21 15.050 6.248 -4.102 1.00 9.90 H new ATOM 0 HH12 ARG A 21 13.312 6.554 -4.010 1.00 9.90 H new ATOM 0 HH21 ARG A 21 12.840 4.601 -1.112 1.00 10.29 H new ATOM 0 HH22 ARG A 21 12.063 5.626 -2.323 1.00 10.29 H new ATOM 308 N ALA A 22 18.174 -0.573 -4.100 1.00 7.72 N ATOM 309 CA ALA A 22 17.789 -1.764 -4.831 1.00 8.05 C ATOM 310 C ALA A 22 17.525 -2.925 -3.876 1.00 7.56 C ATOM 311 O ALA A 22 16.641 -3.759 -4.117 1.00 7.73 O ATOM 312 CB ALA A 22 18.860 -2.134 -5.849 1.00 9.15 C ATOM 0 H ALA A 22 19.157 -0.321 -4.199 1.00 7.72 H new ATOM 0 HA ALA A 22 16.864 -1.553 -5.368 1.00 8.05 H new ATOM 0 HB1 ALA A 22 18.555 -3.030 -6.389 1.00 9.15 H new ATOM 0 HB2 ALA A 22 18.991 -1.313 -6.554 1.00 9.15 H new ATOM 0 HB3 ALA A 22 19.802 -2.324 -5.334 1.00 9.15 H new ATOM 318 N LYS A 23 18.302 -2.988 -2.796 1.00 7.27 N ATOM 319 CA LYS A 23 18.130 -4.021 -1.787 1.00 7.12 C ATOM 320 C LYS A 23 18.234 -3.380 -0.388 1.00 6.46 C ATOM 321 O LYS A 23 17.237 -2.885 0.142 1.00 6.78 O ATOM 322 CB LYS A 23 19.171 -5.168 -1.941 1.00 8.04 C ATOM 323 CG LYS A 23 19.228 -5.829 -3.319 1.00 8.77 C ATOM 324 CD LYS A 23 20.221 -6.989 -3.314 1.00 9.62 C ATOM 325 CE LYS A 23 20.480 -7.560 -4.706 1.00 10.49 C ATOM 326 NZ LYS A 23 19.256 -8.070 -5.387 1.00 11.12 N ATOM 0 H LYS A 23 19.058 -2.332 -2.601 1.00 7.27 H new ATOM 0 HA LYS A 23 17.145 -4.469 -1.919 1.00 7.12 H new ATOM 0 HB2 LYS A 23 20.159 -4.771 -1.707 1.00 8.04 H new ATOM 0 HB3 LYS A 23 18.952 -5.935 -1.199 1.00 8.04 H new ATOM 0 HG2 LYS A 23 18.238 -6.191 -3.597 1.00 8.77 H new ATOM 0 HG3 LYS A 23 19.521 -5.095 -4.069 1.00 8.77 H new ATOM 0 HD2 LYS A 23 21.164 -6.650 -2.885 1.00 9.62 H new ATOM 0 HD3 LYS A 23 19.843 -7.781 -2.667 1.00 9.62 H new ATOM 0 HE2 LYS A 23 20.934 -6.787 -5.326 1.00 10.49 H new ATOM 0 HE3 LYS A 23 21.204 -8.371 -4.626 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 19.510 -8.441 -6.325 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 18.833 -8.830 -4.817 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 18.571 -7.295 -5.495 1.00 11.12 H new ATOM 340 N ASN A 24 19.470 -3.344 0.158 1.00 5.86 N ATOM 341 CA ASN A 24 19.815 -2.692 1.451 1.00 5.58 C ATOM 342 C ASN A 24 19.046 -3.239 2.673 1.00 5.25 C ATOM 343 O ASN A 24 19.614 -3.934 3.505 1.00 5.71 O ATOM 344 CB ASN A 24 19.684 -1.151 1.358 1.00 5.59 C ATOM 345 CG ASN A 24 20.120 -0.423 2.622 1.00 6.03 C ATOM 346 OD1 ASN A 24 21.002 -0.871 3.350 1.00 6.46 O ATOM 347 ND2 ASN A 24 19.517 0.715 2.876 1.00 6.29 N ATOM 0 H ASN A 24 20.276 -3.775 -0.294 1.00 5.86 H new ATOM 0 HA ASN A 24 20.859 -2.951 1.627 1.00 5.58 H new ATOM 0 HB2 ASN A 24 20.282 -0.794 0.519 1.00 5.59 H new ATOM 0 HB3 ASN A 24 18.647 -0.896 1.142 1.00 5.59 H new ATOM 0 HD21 ASN A 24 19.777 1.257 3.700 1.00 6.29 H new ATOM 0 HD22 ASN A 24 18.788 1.057 2.249 1.00 6.29 H new ATOM 354 N LEU A 25 17.768 -2.937 2.756 1.00 4.87 N ATOM 355 CA LEU A 25 16.980 -3.308 3.902 1.00 4.97 C ATOM 356 C LEU A 25 15.808 -4.183 3.477 1.00 4.70 C ATOM 357 O LEU A 25 14.926 -3.755 2.745 1.00 4.86 O ATOM 358 CB LEU A 25 16.497 -2.063 4.636 1.00 5.36 C ATOM 359 CG LEU A 25 15.683 -2.303 5.906 1.00 6.04 C ATOM 360 CD1 LEU A 25 16.532 -3.017 6.951 1.00 6.81 C ATOM 361 CD2 LEU A 25 15.143 -0.993 6.456 1.00 6.58 C ATOM 0 H LEU A 25 17.253 -2.431 2.035 1.00 4.87 H new ATOM 0 HA LEU A 25 17.602 -3.885 4.587 1.00 4.97 H new ATOM 0 HB2 LEU A 25 17.367 -1.459 4.895 1.00 5.36 H new ATOM 0 HB3 LEU A 25 15.892 -1.472 3.948 1.00 5.36 H new ATOM 0 HG LEU A 25 14.834 -2.939 5.656 1.00 6.04 H new ATOM 0 HD11 LEU A 25 15.939 -3.182 7.851 1.00 6.81 H new ATOM 0 HD12 LEU A 25 16.865 -3.976 6.555 1.00 6.81 H new ATOM 0 HD13 LEU A 25 17.400 -2.404 7.195 1.00 6.81 H new ATOM 0 HD21 LEU A 25 14.567 -1.188 7.360 1.00 6.58 H new ATOM 0 HD22 LEU A 25 15.973 -0.327 6.692 1.00 6.58 H new ATOM 0 HD23 LEU A 25 14.501 -0.523 5.711 1.00 6.58 H new ATOM 373 N GLU A 26 15.821 -5.394 3.949 1.00 4.76 N ATOM 374 CA GLU A 26 14.813 -6.399 3.593 1.00 4.96 C ATOM 375 C GLU A 26 13.527 -6.315 4.438 1.00 4.83 C ATOM 376 O GLU A 26 12.452 -6.671 3.964 1.00 4.95 O ATOM 377 CB GLU A 26 15.408 -7.797 3.719 1.00 5.70 C ATOM 378 CG GLU A 26 16.066 -8.040 5.059 1.00 6.48 C ATOM 379 CD GLU A 26 16.428 -9.478 5.295 1.00 7.27 C ATOM 380 OE1 GLU A 26 17.365 -9.979 4.683 1.00 7.68 O ATOM 381 OE2 GLU A 26 15.747 -10.120 6.127 1.00 7.70 O ATOM 0 H GLU A 26 16.530 -5.734 4.599 1.00 4.76 H new ATOM 0 HA GLU A 26 14.527 -6.190 2.562 1.00 4.96 H new ATOM 0 HB2 GLU A 26 14.621 -8.536 3.567 1.00 5.70 H new ATOM 0 HB3 GLU A 26 16.142 -7.946 2.927 1.00 5.70 H new ATOM 0 HG2 GLU A 26 16.967 -7.430 5.129 1.00 6.48 H new ATOM 0 HG3 GLU A 26 15.394 -7.708 5.851 1.00 6.48 H new ATOM 388 N LYS A 27 13.636 -5.826 5.666 1.00 5.08 N ATOM 389 CA LYS A 27 12.481 -5.832 6.584 1.00 5.48 C ATOM 390 C LYS A 27 11.521 -4.655 6.352 1.00 5.57 C ATOM 391 O LYS A 27 10.660 -4.378 7.186 1.00 6.04 O ATOM 392 CB LYS A 27 12.928 -5.908 8.054 1.00 6.20 C ATOM 393 CG LYS A 27 13.808 -4.754 8.535 1.00 6.72 C ATOM 394 CD LYS A 27 14.250 -4.934 9.994 1.00 7.40 C ATOM 395 CE LYS A 27 13.059 -5.042 10.956 1.00 8.14 C ATOM 396 NZ LYS A 27 13.489 -5.259 12.370 1.00 8.86 N ATOM 0 H LYS A 27 14.490 -5.425 6.054 1.00 5.08 H new ATOM 0 HA LYS A 27 11.918 -6.737 6.355 1.00 5.48 H new ATOM 0 HB2 LYS A 27 12.040 -5.951 8.684 1.00 6.20 H new ATOM 0 HB3 LYS A 27 13.470 -6.842 8.203 1.00 6.20 H new ATOM 0 HG2 LYS A 27 14.688 -4.680 7.897 1.00 6.72 H new ATOM 0 HG3 LYS A 27 13.262 -3.816 8.435 1.00 6.72 H new ATOM 0 HD2 LYS A 27 14.863 -5.831 10.077 1.00 7.40 H new ATOM 0 HD3 LYS A 27 14.876 -4.091 10.288 1.00 7.40 H new ATOM 0 HE2 LYS A 27 12.463 -4.132 10.896 1.00 8.14 H new ATOM 0 HE3 LYS A 27 12.416 -5.865 10.644 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 12.650 -5.325 12.982 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 14.036 -6.141 12.435 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 14.081 -4.462 12.679 1.00 8.86 H new ATOM 410 N ALA A 28 11.644 -4.025 5.218 1.00 5.50 N ATOM 411 CA ALA A 28 10.805 -2.898 4.850 1.00 5.97 C ATOM 412 C ALA A 28 9.819 -3.301 3.730 1.00 6.23 C ATOM 413 O ALA A 28 9.706 -4.484 3.382 1.00 6.48 O ATOM 414 CB ALA A 28 11.674 -1.720 4.408 1.00 6.27 C ATOM 0 H ALA A 28 12.334 -4.275 4.509 1.00 5.50 H new ATOM 0 HA ALA A 28 10.224 -2.593 5.720 1.00 5.97 H new ATOM 0 HB1 ALA A 28 11.036 -0.880 4.134 1.00 6.27 H new ATOM 0 HB2 ALA A 28 12.331 -1.425 5.226 1.00 6.27 H new ATOM 0 HB3 ALA A 28 12.276 -2.014 3.548 1.00 6.27 H new ATOM 420 N LYS A 29 9.114 -2.320 3.191 1.00 6.51 N ATOM 421 CA LYS A 29 8.156 -2.521 2.114 1.00 7.02 C ATOM 422 C LYS A 29 8.446 -1.534 0.989 1.00 6.93 C ATOM 423 O LYS A 29 8.962 -0.444 1.232 1.00 7.10 O ATOM 424 CB LYS A 29 6.715 -2.325 2.626 1.00 7.79 C ATOM 425 CG LYS A 29 6.219 -3.402 3.591 1.00 8.36 C ATOM 426 CD LYS A 29 6.096 -4.756 2.892 1.00 9.07 C ATOM 427 CE LYS A 29 5.560 -5.850 3.821 1.00 9.70 C ATOM 428 NZ LYS A 29 6.495 -6.190 4.919 1.00 10.01 N ATOM 0 H LYS A 29 9.191 -1.349 3.492 1.00 6.51 H new ATOM 0 HA LYS A 29 8.252 -3.541 1.741 1.00 7.02 H new ATOM 0 HB2 LYS A 29 6.651 -1.357 3.122 1.00 7.79 H new ATOM 0 HB3 LYS A 29 6.043 -2.289 1.769 1.00 7.79 H new ATOM 0 HG2 LYS A 29 6.907 -3.485 4.432 1.00 8.36 H new ATOM 0 HG3 LYS A 29 5.251 -3.111 3.999 1.00 8.36 H new ATOM 0 HD2 LYS A 29 5.434 -4.658 2.032 1.00 9.07 H new ATOM 0 HD3 LYS A 29 7.073 -5.054 2.511 1.00 9.07 H new ATOM 0 HE2 LYS A 29 4.612 -5.523 4.248 1.00 9.70 H new ATOM 0 HE3 LYS A 29 5.355 -6.747 3.236 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 6.085 -6.947 5.503 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 7.398 -6.513 4.518 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 6.659 -5.349 5.508 1.00 10.01 H new ATOM 442 N ALA A 30 8.121 -1.919 -0.228 1.00 7.00 N ATOM 443 CA ALA A 30 8.340 -1.080 -1.393 1.00 7.22 C ATOM 444 C ALA A 30 6.991 -0.667 -1.990 1.00 7.17 C ATOM 445 O ALA A 30 5.944 -0.909 -1.375 1.00 7.27 O ATOM 446 CB ALA A 30 9.193 -1.815 -2.424 1.00 7.43 C ATOM 0 H ALA A 30 7.697 -2.822 -0.440 1.00 7.00 H new ATOM 0 HA ALA A 30 8.878 -0.181 -1.094 1.00 7.22 H new ATOM 0 HB1 ALA A 30 9.349 -1.174 -3.291 1.00 7.43 H new ATOM 0 HB2 ALA A 30 10.157 -2.070 -1.984 1.00 7.43 H new ATOM 0 HB3 ALA A 30 8.683 -2.727 -2.734 1.00 7.43 H new ATOM 452 N ALA A 31 7.006 -0.056 -3.158 1.00 7.30 N ATOM 453 CA ALA A 31 5.779 0.394 -3.794 1.00 7.49 C ATOM 454 C ALA A 31 5.223 -0.691 -4.724 1.00 7.26 C ATOM 455 O ALA A 31 5.776 -1.797 -4.812 1.00 7.29 O ATOM 456 CB ALA A 31 6.019 1.693 -4.564 1.00 8.16 C ATOM 0 H ALA A 31 7.855 0.142 -3.688 1.00 7.30 H new ATOM 0 HA ALA A 31 5.040 0.588 -3.016 1.00 7.49 H new ATOM 0 HB1 ALA A 31 5.089 2.015 -5.033 1.00 8.16 H new ATOM 0 HB2 ALA A 31 6.364 2.465 -3.876 1.00 8.16 H new ATOM 0 HB3 ALA A 31 6.775 1.527 -5.332 1.00 8.16 H new ATOM 462 N GLY A 32 4.145 -0.372 -5.415 1.00 7.31 N ATOM 463 CA GLY A 32 3.535 -1.321 -6.309 1.00 7.37 C ATOM 464 C GLY A 32 2.964 -0.641 -7.526 1.00 7.39 C ATOM 465 O GLY A 32 3.379 -0.900 -8.643 1.00 7.69 O ATOM 0 H GLY A 32 3.680 0.535 -5.371 1.00 7.31 H new ATOM 0 HA2 GLY A 32 4.274 -2.060 -6.617 1.00 7.37 H new ATOM 0 HA3 GLY A 32 2.744 -1.859 -5.786 1.00 7.37 H new ATOM 469 N LYS A 33 2.019 0.260 -7.300 1.00 7.33 N ATOM 470 CA LYS A 33 1.405 1.005 -8.381 1.00 7.58 C ATOM 471 C LYS A 33 2.173 2.295 -8.620 1.00 7.81 C ATOM 472 O LYS A 33 2.613 2.951 -7.651 1.00 8.09 O ATOM 473 CB LYS A 33 -0.080 1.297 -8.098 1.00 7.70 C ATOM 474 CG LYS A 33 -0.944 0.049 -7.921 1.00 7.71 C ATOM 475 CD LYS A 33 -2.417 0.413 -7.757 1.00 8.10 C ATOM 476 CE LYS A 33 -3.300 -0.832 -7.669 1.00 8.68 C ATOM 477 NZ LYS A 33 -3.261 -1.649 -8.917 1.00 8.86 N ATOM 0 H LYS A 33 1.662 0.491 -6.373 1.00 7.33 H new ATOM 0 HA LYS A 33 1.447 0.393 -9.282 1.00 7.58 H new ATOM 0 HB2 LYS A 33 -0.153 1.906 -7.197 1.00 7.70 H new ATOM 0 HB3 LYS A 33 -0.484 1.891 -8.918 1.00 7.70 H new ATOM 0 HG2 LYS A 33 -0.823 -0.605 -8.784 1.00 7.71 H new ATOM 0 HG3 LYS A 33 -0.606 -0.509 -7.048 1.00 7.71 H new ATOM 0 HD2 LYS A 33 -2.545 1.015 -6.857 1.00 8.10 H new ATOM 0 HD3 LYS A 33 -2.736 1.027 -8.599 1.00 8.10 H new ATOM 0 HE2 LYS A 33 -2.976 -1.444 -6.827 1.00 8.68 H new ATOM 0 HE3 LYS A 33 -4.328 -0.531 -7.468 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 -4.030 -2.349 -8.898 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 -3.380 -1.028 -9.743 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 -2.347 -2.140 -8.982 1.00 8.86 H new ATOM 491 N GLY A 34 2.342 2.639 -9.876 1.00 7.92 N ATOM 492 CA GLY A 34 3.061 3.829 -10.246 1.00 8.28 C ATOM 493 C GLY A 34 2.308 5.100 -9.913 1.00 8.23 C ATOM 494 O GLY A 34 1.094 5.204 -10.143 1.00 8.16 O ATOM 0 H GLY A 34 1.985 2.101 -10.666 1.00 7.92 H new ATOM 0 HA2 GLY A 34 4.024 3.839 -9.736 1.00 8.28 H new ATOM 0 HA3 GLY A 34 3.268 3.805 -11.316 1.00 8.28 H new ATOM 498 N SER A 35 3.018 6.062 -9.394 1.00 8.52 N ATOM 499 CA SER A 35 2.459 7.308 -8.987 1.00 8.67 C ATOM 500 C SER A 35 2.463 8.331 -10.133 1.00 8.96 C ATOM 501 O SER A 35 3.066 8.103 -11.187 1.00 9.53 O ATOM 502 CB SER A 35 3.235 7.828 -7.771 1.00 8.87 C ATOM 503 OG SER A 35 4.640 7.819 -8.017 1.00 8.86 O ATOM 0 H SER A 35 4.024 5.994 -9.241 1.00 8.52 H new ATOM 0 HA SER A 35 1.416 7.157 -8.711 1.00 8.67 H new ATOM 0 HB2 SER A 35 2.910 8.841 -7.535 1.00 8.87 H new ATOM 0 HB3 SER A 35 3.011 7.210 -6.901 1.00 8.87 H new ATOM 0 HG SER A 35 5.084 8.435 -7.398 1.00 8.86 H new ATOM 509 N GLN A 36 1.771 9.444 -9.927 1.00 8.75 N ATOM 510 CA GLN A 36 1.704 10.528 -10.907 1.00 9.17 C ATOM 511 C GLN A 36 2.113 11.840 -10.251 1.00 8.70 C ATOM 512 O GLN A 36 3.148 12.416 -10.580 1.00 8.58 O ATOM 513 CB GLN A 36 0.291 10.616 -11.512 1.00 10.09 C ATOM 514 CG GLN A 36 -0.082 9.410 -12.376 1.00 10.66 C ATOM 515 CD GLN A 36 0.734 9.333 -13.668 1.00 11.45 C ATOM 516 OE1 GLN A 36 0.329 9.868 -14.701 1.00 11.91 O ATOM 517 NE2 GLN A 36 1.888 8.711 -13.611 1.00 11.81 N ATOM 0 H GLN A 36 1.239 9.624 -9.076 1.00 8.75 H new ATOM 0 HA GLN A 36 2.399 10.323 -11.722 1.00 9.17 H new ATOM 0 HB2 GLN A 36 -0.435 10.713 -10.705 1.00 10.09 H new ATOM 0 HB3 GLN A 36 0.219 11.521 -12.116 1.00 10.09 H new ATOM 0 HG2 GLN A 36 0.069 8.496 -11.801 1.00 10.66 H new ATOM 0 HG3 GLN A 36 -1.142 9.460 -12.623 1.00 10.66 H new ATOM 0 HE21 GLN A 36 2.192 8.279 -12.738 1.00 11.81 H new ATOM 0 HE22 GLN A 36 2.481 8.659 -14.439 1.00 11.81 H new ATOM 526 N LEU A 37 1.298 12.309 -9.322 1.00 8.63 N ATOM 527 CA LEU A 37 1.624 13.515 -8.568 1.00 8.33 C ATOM 528 C LEU A 37 2.079 13.134 -7.168 1.00 7.59 C ATOM 529 O LEU A 37 2.970 13.781 -6.607 1.00 7.53 O ATOM 530 CB LEU A 37 0.423 14.471 -8.505 1.00 8.94 C ATOM 531 CG LEU A 37 -0.090 15.013 -9.853 1.00 9.62 C ATOM 532 CD1 LEU A 37 -1.314 15.890 -9.647 1.00 10.08 C ATOM 533 CD2 LEU A 37 1.003 15.796 -10.572 1.00 9.94 C ATOM 0 H LEU A 37 0.409 11.878 -9.070 1.00 8.63 H new ATOM 0 HA LEU A 37 2.434 14.037 -9.078 1.00 8.33 H new ATOM 0 HB2 LEU A 37 -0.399 13.955 -8.009 1.00 8.94 H new ATOM 0 HB3 LEU A 37 0.694 15.319 -7.876 1.00 8.94 H new ATOM 0 HG LEU A 37 -0.371 14.162 -10.474 1.00 9.62 H new ATOM 0 HD11 LEU A 37 -1.661 16.263 -10.611 1.00 10.08 H new ATOM 0 HD12 LEU A 37 -2.106 15.306 -9.178 1.00 10.08 H new ATOM 0 HD13 LEU A 37 -1.055 16.731 -9.004 1.00 10.08 H new ATOM 0 HD21 LEU A 37 0.619 16.169 -11.521 1.00 9.94 H new ATOM 0 HD22 LEU A 37 1.317 16.636 -9.952 1.00 9.94 H new ATOM 0 HD23 LEU A 37 1.856 15.143 -10.757 1.00 9.94 H new ATOM 545 N GLU A 38 1.445 12.057 -6.632 1.00 7.28 N ATOM 546 CA GLU A 38 1.724 11.469 -5.301 1.00 6.85 C ATOM 547 C GLU A 38 1.677 12.495 -4.151 1.00 6.29 C ATOM 548 O GLU A 38 1.136 13.594 -4.310 1.00 6.53 O ATOM 549 CB GLU A 38 3.007 10.583 -5.267 1.00 7.02 C ATOM 550 CG GLU A 38 4.335 11.257 -5.580 1.00 7.23 C ATOM 551 CD GLU A 38 5.484 10.296 -5.455 1.00 7.58 C ATOM 552 OE1 GLU A 38 5.998 10.130 -4.328 1.00 7.82 O ATOM 553 OE2 GLU A 38 5.868 9.662 -6.476 1.00 7.86 O ATOM 0 H GLU A 38 0.705 11.563 -7.131 1.00 7.28 H new ATOM 0 HA GLU A 38 0.892 10.788 -5.121 1.00 6.85 H new ATOM 0 HB2 GLU A 38 3.082 10.137 -4.275 1.00 7.02 H new ATOM 0 HB3 GLU A 38 2.870 9.765 -5.975 1.00 7.02 H new ATOM 0 HG2 GLU A 38 4.308 11.664 -6.591 1.00 7.23 H new ATOM 0 HG3 GLU A 38 4.487 12.097 -4.902 1.00 7.23 H new ATOM 560 N ALA A 39 2.150 12.071 -2.958 1.00 5.86 N ATOM 561 CA ALA A 39 2.195 12.899 -1.725 1.00 5.57 C ATOM 562 C ALA A 39 0.806 13.156 -1.096 1.00 5.31 C ATOM 563 O ALA A 39 0.708 13.488 0.083 1.00 5.56 O ATOM 564 CB ALA A 39 2.970 14.206 -1.934 1.00 5.92 C ATOM 0 H ALA A 39 2.518 11.130 -2.819 1.00 5.86 H new ATOM 0 HA ALA A 39 2.745 12.300 -0.999 1.00 5.57 H new ATOM 0 HB1 ALA A 39 2.976 14.778 -1.006 1.00 5.92 H new ATOM 0 HB2 ALA A 39 3.995 13.978 -2.227 1.00 5.92 H new ATOM 0 HB3 ALA A 39 2.490 14.792 -2.718 1.00 5.92 H new ATOM 570 N ASN A 40 -0.246 12.941 -1.869 1.00 5.21 N ATOM 571 CA ASN A 40 -1.643 13.182 -1.442 1.00 5.30 C ATOM 572 C ASN A 40 -2.171 12.133 -0.452 1.00 4.90 C ATOM 573 O ASN A 40 -3.379 12.020 -0.262 1.00 4.87 O ATOM 574 CB ASN A 40 -2.584 13.240 -2.654 1.00 5.95 C ATOM 575 CG ASN A 40 -2.349 14.427 -3.575 1.00 6.36 C ATOM 576 OD1 ASN A 40 -1.910 15.491 -3.157 1.00 6.54 O ATOM 577 ND2 ASN A 40 -2.652 14.248 -4.853 1.00 6.88 N ATOM 0 H ASN A 40 -0.169 12.590 -2.824 1.00 5.21 H new ATOM 0 HA ASN A 40 -1.628 14.143 -0.927 1.00 5.30 H new ATOM 0 HB2 ASN A 40 -2.472 12.321 -3.230 1.00 5.95 H new ATOM 0 HB3 ASN A 40 -3.614 13.270 -2.298 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -2.521 15.009 -5.520 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -3.016 13.349 -5.170 1.00 6.88 H new ATOM 584 N LYS A 41 -1.310 11.389 0.186 1.00 4.91 N ATOM 585 CA LYS A 41 -1.783 10.430 1.146 1.00 4.79 C ATOM 586 C LYS A 41 -0.993 10.570 2.438 1.00 5.11 C ATOM 587 O LYS A 41 -1.508 11.079 3.417 1.00 5.52 O ATOM 588 CB LYS A 41 -1.721 8.984 0.618 1.00 5.30 C ATOM 589 CG LYS A 41 -2.567 8.027 1.455 1.00 6.03 C ATOM 590 CD LYS A 41 -2.434 6.568 1.042 1.00 6.55 C ATOM 591 CE LYS A 41 -2.674 6.326 -0.446 1.00 7.33 C ATOM 592 NZ LYS A 41 -2.515 4.895 -0.797 1.00 7.95 N ATOM 0 H LYS A 41 -0.298 11.425 0.063 1.00 4.91 H new ATOM 0 HA LYS A 41 -2.835 10.642 1.337 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -2.066 8.962 -0.416 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -0.685 8.644 0.616 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -2.282 8.126 2.502 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -3.614 8.322 1.380 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -1.436 6.216 1.302 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -3.142 5.971 1.617 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -3.678 6.657 -0.712 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -1.975 6.925 -1.030 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -3.081 4.680 -1.642 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -1.513 4.694 -0.991 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -2.839 4.305 -0.004 1.00 7.95 H new ATOM 606 N LYS A 42 0.268 10.083 2.420 1.00 5.29 N ATOM 607 CA LYS A 42 1.241 10.186 3.534 1.00 6.01 C ATOM 608 C LYS A 42 0.832 9.417 4.841 1.00 6.11 C ATOM 609 O LYS A 42 1.690 8.895 5.550 1.00 6.74 O ATOM 610 CB LYS A 42 1.570 11.666 3.831 1.00 6.24 C ATOM 611 CG LYS A 42 2.687 11.854 4.840 1.00 6.53 C ATOM 612 CD LYS A 42 2.973 13.329 5.142 1.00 7.13 C ATOM 613 CE LYS A 42 3.470 14.092 3.911 1.00 7.68 C ATOM 614 NZ LYS A 42 3.753 15.520 4.217 1.00 8.17 N ATOM 0 H LYS A 42 0.648 9.594 1.609 1.00 5.29 H new ATOM 0 HA LYS A 42 2.139 9.677 3.185 1.00 6.01 H new ATOM 0 HB2 LYS A 42 1.847 12.161 2.900 1.00 6.24 H new ATOM 0 HB3 LYS A 42 0.672 12.161 4.201 1.00 6.24 H new ATOM 0 HG2 LYS A 42 2.424 11.343 5.766 1.00 6.53 H new ATOM 0 HG3 LYS A 42 3.594 11.383 4.463 1.00 6.53 H new ATOM 0 HD2 LYS A 42 2.066 13.802 5.518 1.00 7.13 H new ATOM 0 HD3 LYS A 42 3.719 13.397 5.934 1.00 7.13 H new ATOM 0 HE2 LYS A 42 4.374 13.617 3.531 1.00 7.68 H new ATOM 0 HE3 LYS A 42 2.722 14.032 3.121 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 4.087 16.000 3.357 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 2.885 15.981 4.556 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 4.486 15.579 4.953 1.00 8.17 H new ATOM 628 N ALA A 43 -0.456 9.357 5.127 1.00 5.71 N ATOM 629 CA ALA A 43 -0.973 8.760 6.357 1.00 5.93 C ATOM 630 C ALA A 43 -1.268 7.270 6.231 1.00 5.58 C ATOM 631 O ALA A 43 -1.427 6.596 7.246 1.00 5.78 O ATOM 632 CB ALA A 43 -2.249 9.468 6.746 1.00 5.86 C ATOM 0 H ALA A 43 -1.183 9.722 4.511 1.00 5.71 H new ATOM 0 HA ALA A 43 -0.196 8.874 7.113 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -2.643 9.030 7.663 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -2.043 10.526 6.909 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -2.983 9.360 5.948 1.00 5.86 H new ATOM 638 N MET A 44 -1.341 6.779 4.993 1.00 5.27 N ATOM 639 CA MET A 44 -1.745 5.393 4.701 1.00 5.14 C ATOM 640 C MET A 44 -3.169 5.129 5.188 1.00 4.41 C ATOM 641 O MET A 44 -3.398 4.769 6.340 1.00 4.57 O ATOM 642 CB MET A 44 -0.764 4.325 5.250 1.00 5.83 C ATOM 643 CG MET A 44 0.629 4.279 4.604 1.00 6.40 C ATOM 644 SD MET A 44 1.571 5.809 4.781 1.00 6.97 S ATOM 645 CE MET A 44 3.129 5.348 4.026 1.00 7.62 C ATOM 0 H MET A 44 -1.123 7.327 4.161 1.00 5.27 H new ATOM 0 HA MET A 44 -1.714 5.294 3.616 1.00 5.14 H new ATOM 0 HB2 MET A 44 -0.639 4.494 6.320 1.00 5.83 H new ATOM 0 HB3 MET A 44 -1.227 3.345 5.134 1.00 5.83 H new ATOM 0 HG2 MET A 44 1.197 3.461 5.047 1.00 6.40 H new ATOM 0 HG3 MET A 44 0.519 4.053 3.543 1.00 6.40 H new ATOM 0 HE1 MET A 44 3.815 6.194 4.061 1.00 7.62 H new ATOM 0 HE2 MET A 44 3.562 4.508 4.569 1.00 7.62 H new ATOM 0 HE3 MET A 44 2.960 5.061 2.988 1.00 7.62 H new ATOM 655 N SER A 45 -4.115 5.381 4.302 1.00 3.91 N ATOM 656 CA SER A 45 -5.524 5.230 4.582 1.00 3.31 C ATOM 657 C SER A 45 -5.931 3.788 4.979 1.00 3.15 C ATOM 658 O SER A 45 -6.087 3.468 6.146 1.00 3.30 O ATOM 659 CB SER A 45 -6.345 5.635 3.367 1.00 3.27 C ATOM 660 OG SER A 45 -7.722 5.643 3.656 1.00 3.82 O ATOM 0 H SER A 45 -3.919 5.701 3.354 1.00 3.91 H new ATOM 0 HA SER A 45 -5.725 5.878 5.435 1.00 3.31 H new ATOM 0 HB2 SER A 45 -6.037 6.625 3.031 1.00 3.27 H new ATOM 0 HB3 SER A 45 -6.148 4.945 2.547 1.00 3.27 H new ATOM 0 HG SER A 45 -7.856 5.859 4.602 1.00 3.82 H new ATOM 666 N ILE A 46 -6.122 2.937 3.971 1.00 3.06 N ATOM 667 CA ILE A 46 -6.667 1.594 4.191 1.00 2.90 C ATOM 668 C ILE A 46 -5.775 0.546 3.511 1.00 3.39 C ATOM 669 O ILE A 46 -5.026 0.883 2.602 1.00 3.76 O ATOM 670 CB ILE A 46 -8.091 1.528 3.546 1.00 2.48 C ATOM 671 CG1 ILE A 46 -8.862 2.801 3.907 1.00 2.40 C ATOM 672 CG2 ILE A 46 -8.850 0.291 4.035 1.00 2.38 C ATOM 673 CD1 ILE A 46 -10.276 2.904 3.345 1.00 2.53 C ATOM 0 H ILE A 46 -5.909 3.151 2.997 1.00 3.06 H new ATOM 0 HA ILE A 46 -6.713 1.390 5.261 1.00 2.90 H new ATOM 0 HB ILE A 46 -7.991 1.454 2.463 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -8.917 2.874 4.993 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -8.290 3.661 3.559 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -9.838 0.264 3.574 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -8.297 -0.607 3.760 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -8.956 0.334 5.119 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -10.727 3.844 3.664 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -10.238 2.870 2.256 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -10.875 2.071 3.713 1.00 2.53 H new ATOM 685 N GLN A 47 -5.874 -0.698 3.950 1.00 3.62 N ATOM 686 CA GLN A 47 -5.121 -1.822 3.394 1.00 4.26 C ATOM 687 C GLN A 47 -6.083 -2.740 2.613 1.00 4.05 C ATOM 688 O GLN A 47 -7.187 -3.040 3.071 1.00 3.59 O ATOM 689 CB GLN A 47 -4.440 -2.607 4.537 1.00 4.89 C ATOM 690 CG GLN A 47 -3.652 -3.852 4.108 1.00 5.73 C ATOM 691 CD GLN A 47 -3.087 -4.597 5.307 1.00 6.34 C ATOM 692 OE1 GLN A 47 -3.738 -5.482 5.867 1.00 6.66 O ATOM 693 NE2 GLN A 47 -1.884 -4.261 5.702 1.00 6.79 N ATOM 0 H GLN A 47 -6.491 -0.965 4.717 1.00 3.62 H new ATOM 0 HA GLN A 47 -4.351 -1.452 2.717 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -3.763 -1.934 5.063 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -5.205 -2.911 5.251 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -4.302 -4.517 3.539 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -2.838 -3.558 3.445 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -1.375 -3.524 5.215 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -1.457 -4.737 6.497 1.00 6.79 H new ATOM 702 N CYS A 48 -5.653 -3.143 1.442 1.00 4.51 N ATOM 703 CA CYS A 48 -6.414 -4.006 0.571 1.00 4.51 C ATOM 704 C CYS A 48 -6.350 -5.453 1.042 1.00 4.78 C ATOM 705 O CYS A 48 -5.292 -5.922 1.503 1.00 5.43 O ATOM 706 CB CYS A 48 -5.908 -3.896 -0.862 1.00 5.18 C ATOM 707 SG CYS A 48 -6.829 -4.872 -2.062 1.00 5.33 S ATOM 0 H CYS A 48 -4.746 -2.875 1.060 1.00 4.51 H new ATOM 0 HA CYS A 48 -7.455 -3.683 0.603 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -5.939 -2.849 -1.165 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -4.863 -4.204 -0.889 1.00 5.18 H new ATOM 0 HG CYS A 48 -8.038 -5.068 -1.626 1.00 5.33 H new ATOM 713 N LYS A 49 -7.467 -6.156 0.852 1.00 4.37 N ATOM 714 CA LYS A 49 -7.676 -7.523 1.301 1.00 4.60 C ATOM 715 C LYS A 49 -6.659 -8.488 0.714 1.00 5.45 C ATOM 716 O LYS A 49 -6.097 -9.320 1.414 1.00 5.91 O ATOM 717 CB LYS A 49 -9.005 -7.983 0.779 1.00 4.03 C ATOM 718 CG LYS A 49 -9.457 -9.277 1.386 1.00 4.13 C ATOM 719 CD LYS A 49 -10.187 -10.131 0.408 1.00 4.80 C ATOM 720 CE LYS A 49 -9.267 -10.653 -0.703 1.00 5.08 C ATOM 721 NZ LYS A 49 -10.005 -11.486 -1.677 1.00 5.64 N ATOM 0 H LYS A 49 -8.276 -5.771 0.364 1.00 4.37 H new ATOM 0 HA LYS A 49 -7.600 -7.522 2.388 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -9.752 -7.215 0.977 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -8.944 -8.097 -0.303 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -8.592 -9.820 1.766 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -10.103 -9.070 2.239 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -10.638 -10.975 0.930 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -11.001 -9.558 -0.036 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -8.806 -9.811 -1.220 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -8.459 -11.237 -0.262 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -9.351 -11.821 -2.413 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -10.424 -12.303 -1.188 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -10.760 -10.921 -2.116 1.00 5.64 H new ATOM 735 N VAL A 50 -6.469 -8.361 -0.600 1.00 5.76 N ATOM 736 CA VAL A 50 -5.687 -9.302 -1.424 1.00 6.62 C ATOM 737 C VAL A 50 -4.310 -9.628 -0.852 1.00 7.31 C ATOM 738 O VAL A 50 -3.830 -10.742 -0.991 1.00 7.94 O ATOM 739 CB VAL A 50 -5.565 -8.774 -2.888 1.00 6.99 C ATOM 740 CG1 VAL A 50 -4.908 -7.414 -2.924 1.00 6.73 C ATOM 741 CG2 VAL A 50 -4.841 -9.754 -3.801 1.00 7.56 C ATOM 0 H VAL A 50 -6.860 -7.588 -1.138 1.00 5.76 H new ATOM 0 HA VAL A 50 -6.241 -10.241 -1.419 1.00 6.62 H new ATOM 0 HB VAL A 50 -6.580 -8.674 -3.272 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -4.837 -7.072 -3.956 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -5.504 -6.707 -2.348 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -3.909 -7.481 -2.494 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -4.783 -9.339 -4.807 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -3.834 -9.929 -3.422 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -5.387 -10.697 -3.828 1.00 7.56 H new ATOM 751 N CYS A 51 -3.703 -8.675 -0.187 1.00 7.22 N ATOM 752 CA CYS A 51 -2.397 -8.890 0.324 1.00 7.91 C ATOM 753 C CYS A 51 -2.093 -7.906 1.430 1.00 7.66 C ATOM 754 O CYS A 51 -2.087 -8.277 2.605 1.00 7.62 O ATOM 755 CB CYS A 51 -1.351 -8.812 -0.830 1.00 8.65 C ATOM 756 SG CYS A 51 0.364 -9.102 -0.345 1.00 9.28 S ATOM 0 H CYS A 51 -4.099 -7.755 0.005 1.00 7.22 H new ATOM 0 HA CYS A 51 -2.340 -9.889 0.756 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -1.623 -9.541 -1.593 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -1.418 -7.827 -1.292 1.00 8.65 H new ATOM 0 HG CYS A 51 0.491 -8.911 0.935 1.00 9.28 H new ATOM 762 N MET A 52 -1.906 -6.639 1.057 1.00 7.53 N ATOM 763 CA MET A 52 -1.486 -5.596 2.019 1.00 7.36 C ATOM 764 C MET A 52 -1.371 -4.241 1.344 1.00 7.19 C ATOM 765 O MET A 52 -0.631 -3.379 1.791 1.00 7.51 O ATOM 766 CB MET A 52 -0.111 -5.962 2.594 1.00 8.14 C ATOM 767 CG MET A 52 1.000 -6.137 1.560 1.00 8.25 C ATOM 768 SD MET A 52 2.562 -6.644 2.277 1.00 9.18 S ATOM 769 CE MET A 52 3.544 -6.834 0.788 1.00 9.44 C ATOM 0 H MET A 52 -2.036 -6.303 0.103 1.00 7.53 H new ATOM 0 HA MET A 52 -2.238 -5.540 2.806 1.00 7.36 H new ATOM 0 HB2 MET A 52 0.189 -5.186 3.298 1.00 8.14 H new ATOM 0 HB3 MET A 52 -0.207 -6.888 3.161 1.00 8.14 H new ATOM 0 HG2 MET A 52 0.688 -6.878 0.824 1.00 8.25 H new ATOM 0 HG3 MET A 52 1.141 -5.197 1.026 1.00 8.25 H new ATOM 0 HE1 MET A 52 4.553 -7.148 1.055 1.00 9.44 H new ATOM 0 HE2 MET A 52 3.088 -7.586 0.145 1.00 9.44 H new ATOM 0 HE3 MET A 52 3.589 -5.883 0.258 1.00 9.44 H new ATOM 779 N GLN A 53 -2.134 -4.027 0.304 1.00 6.77 N ATOM 780 CA GLN A 53 -1.940 -2.826 -0.502 1.00 6.78 C ATOM 781 C GLN A 53 -2.685 -1.702 0.148 1.00 5.99 C ATOM 782 O GLN A 53 -3.332 -1.913 1.138 1.00 5.51 O ATOM 783 CB GLN A 53 -2.424 -3.063 -1.921 1.00 7.00 C ATOM 784 CG GLN A 53 -2.001 -4.417 -2.472 1.00 7.73 C ATOM 785 CD GLN A 53 -0.496 -4.693 -2.360 1.00 8.54 C ATOM 786 OE1 GLN A 53 0.272 -4.380 -3.244 1.00 9.11 O ATOM 787 NE2 GLN A 53 -0.100 -5.297 -1.243 1.00 8.65 N ATOM 0 H GLN A 53 -2.882 -4.646 -0.009 1.00 6.77 H new ATOM 0 HA GLN A 53 -0.882 -2.572 -0.560 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -3.511 -2.990 -1.946 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -2.037 -2.276 -2.568 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -2.544 -5.199 -1.942 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -2.295 -4.479 -3.520 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -0.783 -5.542 -0.526 1.00 8.65 H new ATOM 0 HE22 GLN A 53 0.887 -5.515 -1.104 1.00 8.65 H new ATOM 796 N THR A 54 -2.631 -0.538 -0.379 1.00 5.92 N ATOM 797 CA THR A 54 -3.266 0.528 0.303 1.00 5.23 C ATOM 798 C THR A 54 -4.089 1.406 -0.634 1.00 5.04 C ATOM 799 O THR A 54 -3.725 1.656 -1.789 1.00 5.63 O ATOM 800 CB THR A 54 -2.234 1.383 1.078 1.00 5.45 C ATOM 801 OG1 THR A 54 -2.880 2.440 1.811 1.00 4.93 O ATOM 802 CG2 THR A 54 -1.255 1.981 0.124 1.00 5.93 C ATOM 0 H THR A 54 -2.168 -0.299 -1.256 1.00 5.92 H new ATOM 0 HA THR A 54 -3.956 0.078 1.017 1.00 5.23 H new ATOM 0 HB THR A 54 -1.720 0.731 1.784 1.00 5.45 H new ATOM 0 HG1 THR A 54 -3.713 2.104 2.203 1.00 4.93 H new ATOM 0 HG21 THR A 54 -0.531 2.582 0.674 1.00 5.93 H new ATOM 0 HG22 THR A 54 -0.735 1.186 -0.410 1.00 5.93 H new ATOM 0 HG23 THR A 54 -1.783 2.613 -0.590 1.00 5.93 H new ATOM 810 N PHE A 55 -5.173 1.882 -0.105 1.00 4.34 N ATOM 811 CA PHE A 55 -6.037 2.782 -0.791 1.00 4.27 C ATOM 812 C PHE A 55 -5.873 4.153 -0.181 1.00 3.93 C ATOM 813 O PHE A 55 -5.161 4.306 0.834 1.00 3.54 O ATOM 814 CB PHE A 55 -7.495 2.327 -0.713 1.00 3.91 C ATOM 815 CG PHE A 55 -7.790 1.044 -1.436 1.00 4.29 C ATOM 816 CD1 PHE A 55 -8.138 1.072 -2.770 1.00 4.83 C ATOM 817 CD2 PHE A 55 -7.736 -0.178 -0.790 1.00 4.24 C ATOM 818 CE1 PHE A 55 -8.424 -0.091 -3.455 1.00 5.27 C ATOM 819 CE2 PHE A 55 -8.025 -1.342 -1.473 1.00 4.63 C ATOM 820 CZ PHE A 55 -8.370 -1.299 -2.806 1.00 5.13 C ATOM 0 H PHE A 55 -5.486 1.648 0.837 1.00 4.34 H new ATOM 0 HA PHE A 55 -5.769 2.806 -1.847 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -7.769 2.209 0.335 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -8.129 3.113 -1.122 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -8.187 2.019 -3.287 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -7.466 -0.221 0.255 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -8.690 -0.051 -4.501 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -7.980 -2.291 -0.960 1.00 4.63 H new ATOM 0 HZ PHE A 55 -8.597 -2.211 -3.338 1.00 5.13 H new ATOM 830 N ILE A 56 -6.489 5.137 -0.767 1.00 4.24 N ATOM 831 CA ILE A 56 -6.348 6.490 -0.298 1.00 4.10 C ATOM 832 C ILE A 56 -7.631 6.849 0.441 1.00 3.68 C ATOM 833 O ILE A 56 -8.696 6.295 0.138 1.00 3.75 O ATOM 834 CB ILE A 56 -6.100 7.468 -1.522 1.00 4.78 C ATOM 835 CG1 ILE A 56 -5.239 8.719 -1.156 1.00 4.73 C ATOM 836 CG2 ILE A 56 -7.401 7.873 -2.240 1.00 5.23 C ATOM 837 CD1 ILE A 56 -5.744 9.614 -0.066 1.00 4.53 C ATOM 0 H ILE A 56 -7.099 5.030 -1.577 1.00 4.24 H new ATOM 0 HA ILE A 56 -5.493 6.586 0.371 1.00 4.10 H new ATOM 0 HB ILE A 56 -5.511 6.883 -2.228 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -4.246 8.372 -0.872 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -5.121 9.321 -2.057 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -7.167 8.542 -3.068 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -7.898 6.982 -2.623 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -8.061 8.382 -1.538 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -5.047 10.439 0.080 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -6.721 10.009 -0.343 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -5.832 9.046 0.860 1.00 4.53 H new ATOM 849 N CYS A 57 -7.530 7.698 1.440 1.00 3.44 N ATOM 850 CA CYS A 57 -8.705 8.142 2.151 1.00 3.38 C ATOM 851 C CYS A 57 -9.528 9.092 1.277 1.00 3.93 C ATOM 852 O CYS A 57 -9.421 10.319 1.367 1.00 4.21 O ATOM 853 CB CYS A 57 -8.357 8.782 3.501 1.00 3.28 C ATOM 854 SG CYS A 57 -9.786 9.256 4.508 1.00 4.03 S ATOM 0 H CYS A 57 -6.651 8.092 1.776 1.00 3.44 H new ATOM 0 HA CYS A 57 -9.311 7.263 2.372 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -7.744 8.084 4.071 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -7.747 9.667 3.321 1.00 3.28 H new ATOM 0 HG CYS A 57 -9.375 9.783 5.623 1.00 4.03 H new ATOM 860 N THR A 58 -10.247 8.507 0.356 1.00 4.31 N ATOM 861 CA THR A 58 -11.156 9.242 -0.468 1.00 5.03 C ATOM 862 C THR A 58 -12.557 9.125 0.124 1.00 5.13 C ATOM 863 O THR A 58 -13.488 9.821 -0.287 1.00 5.79 O ATOM 864 CB THR A 58 -11.131 8.709 -1.946 1.00 5.61 C ATOM 865 OG1 THR A 58 -12.026 9.456 -2.777 1.00 6.01 O ATOM 866 CG2 THR A 58 -11.487 7.223 -2.018 1.00 5.89 C ATOM 0 H THR A 58 -10.215 7.507 0.160 1.00 4.31 H new ATOM 0 HA THR A 58 -10.855 10.289 -0.495 1.00 5.03 H new ATOM 0 HB THR A 58 -10.112 8.838 -2.311 1.00 5.61 H new ATOM 0 HG1 THR A 58 -12.741 9.839 -2.227 1.00 6.01 H new ATOM 0 HG21 THR A 58 -11.459 6.892 -3.056 1.00 5.89 H new ATOM 0 HG22 THR A 58 -10.768 6.648 -1.434 1.00 5.89 H new ATOM 0 HG23 THR A 58 -12.488 7.069 -1.615 1.00 5.89 H new ATOM 874 N THR A 59 -12.694 8.228 1.086 1.00 4.66 N ATOM 875 CA THR A 59 -13.945 7.977 1.760 1.00 4.98 C ATOM 876 C THR A 59 -13.610 7.253 3.047 1.00 4.60 C ATOM 877 O THR A 59 -12.586 6.573 3.123 1.00 4.34 O ATOM 878 CB THR A 59 -14.925 7.098 0.882 1.00 5.47 C ATOM 879 OG1 THR A 59 -15.130 7.705 -0.408 1.00 6.19 O ATOM 880 CG2 THR A 59 -16.296 6.948 1.563 1.00 5.90 C ATOM 0 H THR A 59 -11.925 7.648 1.421 1.00 4.66 H new ATOM 0 HA THR A 59 -14.459 8.920 1.949 1.00 4.98 H new ATOM 0 HB THR A 59 -14.463 6.117 0.768 1.00 5.47 H new ATOM 0 HG1 THR A 59 -14.843 8.642 -0.378 1.00 6.19 H new ATOM 0 HG21 THR A 59 -16.949 6.339 0.937 1.00 5.90 H new ATOM 0 HG22 THR A 59 -16.170 6.466 2.532 1.00 5.90 H new ATOM 0 HG23 THR A 59 -16.742 7.932 1.703 1.00 5.90 H new ATOM 888 N SER A 60 -14.421 7.432 4.047 1.00 4.93 N ATOM 889 CA SER A 60 -14.245 6.791 5.286 1.00 5.08 C ATOM 890 C SER A 60 -15.000 5.475 5.180 1.00 4.91 C ATOM 891 O SER A 60 -16.164 5.484 4.739 1.00 5.44 O ATOM 892 CB SER A 60 -14.872 7.692 6.358 1.00 5.82 C ATOM 893 OG SER A 60 -14.414 9.031 6.199 1.00 6.47 O ATOM 0 H SER A 60 -15.236 8.044 4.008 1.00 4.93 H new ATOM 0 HA SER A 60 -13.201 6.611 5.542 1.00 5.08 H new ATOM 0 HB2 SER A 60 -15.959 7.659 6.282 1.00 5.82 H new ATOM 0 HB3 SER A 60 -14.611 7.325 7.351 1.00 5.82 H new ATOM 0 HG SER A 60 -14.820 9.599 6.886 1.00 6.47 H new ATOM 899 N GLU A 61 -14.369 4.355 5.554 1.00 4.39 N ATOM 900 CA GLU A 61 -15.005 3.030 5.428 1.00 4.24 C ATOM 901 C GLU A 61 -16.367 2.973 6.070 1.00 4.81 C ATOM 902 O GLU A 61 -17.201 2.251 5.634 1.00 4.86 O ATOM 903 CB GLU A 61 -14.166 1.906 5.993 1.00 4.06 C ATOM 904 CG GLU A 61 -12.923 1.575 5.221 1.00 4.21 C ATOM 905 CD GLU A 61 -12.305 0.311 5.743 1.00 4.27 C ATOM 906 OE1 GLU A 61 -11.558 0.366 6.713 1.00 4.34 O ATOM 907 OE2 GLU A 61 -12.609 -0.762 5.192 1.00 4.60 O ATOM 0 H GLU A 61 -13.427 4.335 5.944 1.00 4.39 H new ATOM 0 HA GLU A 61 -15.105 2.888 4.352 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -13.881 2.166 7.012 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -14.784 1.010 6.054 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -13.163 1.460 4.164 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -12.210 2.395 5.299 1.00 4.21 H new ATOM 914 N VAL A 62 -16.578 3.748 7.097 1.00 5.34 N ATOM 915 CA VAL A 62 -17.850 3.781 7.791 1.00 6.05 C ATOM 916 C VAL A 62 -19.002 4.174 6.850 1.00 6.40 C ATOM 917 O VAL A 62 -20.091 3.613 6.942 1.00 6.81 O ATOM 918 CB VAL A 62 -17.778 4.735 8.981 1.00 6.66 C ATOM 919 CG1 VAL A 62 -19.114 4.836 9.683 1.00 7.23 C ATOM 920 CG2 VAL A 62 -16.713 4.244 9.930 1.00 7.09 C ATOM 0 H VAL A 62 -15.876 4.379 7.483 1.00 5.34 H new ATOM 0 HA VAL A 62 -18.057 2.775 8.156 1.00 6.05 H new ATOM 0 HB VAL A 62 -17.524 5.734 8.626 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -19.031 5.522 10.526 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -19.865 5.207 8.985 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -19.410 3.851 10.045 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -16.650 4.916 10.786 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -16.967 3.241 10.274 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -15.752 4.219 9.417 1.00 7.09 H new ATOM 930 N LYS A 63 -18.739 5.088 5.917 1.00 6.35 N ATOM 931 CA LYS A 63 -19.770 5.535 4.985 1.00 6.86 C ATOM 932 C LYS A 63 -20.047 4.393 4.001 1.00 6.61 C ATOM 933 O LYS A 63 -21.171 4.182 3.535 1.00 7.11 O ATOM 934 CB LYS A 63 -19.284 6.862 4.307 1.00 7.01 C ATOM 935 CG LYS A 63 -20.297 7.642 3.430 1.00 7.83 C ATOM 936 CD LYS A 63 -20.574 6.989 2.086 1.00 8.08 C ATOM 937 CE LYS A 63 -21.559 7.826 1.286 1.00 8.93 C ATOM 938 NZ LYS A 63 -21.761 7.313 -0.086 1.00 9.36 N ATOM 0 H LYS A 63 -17.829 5.530 5.788 1.00 6.35 H new ATOM 0 HA LYS A 63 -20.714 5.766 5.478 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -18.938 7.532 5.094 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -18.419 6.624 3.688 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -21.235 7.741 3.976 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -19.918 8.650 3.263 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -19.644 6.879 1.529 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -20.976 5.987 2.237 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -22.517 7.848 1.806 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -21.200 8.854 1.236 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -22.441 7.920 -0.587 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -20.854 7.316 -0.595 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -22.130 6.342 -0.043 1.00 9.36 H new ATOM 952 N CYS A 64 -19.019 3.623 3.753 1.00 5.90 N ATOM 953 CA CYS A 64 -19.113 2.473 2.910 1.00 5.63 C ATOM 954 C CYS A 64 -19.711 1.282 3.671 1.00 5.60 C ATOM 955 O CYS A 64 -20.322 0.412 3.075 1.00 5.71 O ATOM 956 CB CYS A 64 -17.728 2.128 2.373 1.00 4.97 C ATOM 957 SG CYS A 64 -16.950 3.468 1.436 1.00 4.95 S ATOM 0 H CYS A 64 -18.088 3.783 4.137 1.00 5.90 H new ATOM 0 HA CYS A 64 -19.777 2.698 2.076 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -17.082 1.859 3.209 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -17.805 1.248 1.734 1.00 4.97 H new ATOM 0 HG CYS A 64 -15.779 3.085 1.022 1.00 4.95 H new ATOM 963 N ARG A 65 -19.554 1.278 5.008 1.00 5.62 N ATOM 964 CA ARG A 65 -20.067 0.199 5.829 1.00 5.84 C ATOM 965 C ARG A 65 -21.565 0.129 5.792 1.00 6.60 C ATOM 966 O ARG A 65 -22.126 -0.940 5.539 1.00 6.69 O ATOM 967 CB ARG A 65 -19.522 0.196 7.278 1.00 5.99 C ATOM 968 CG ARG A 65 -18.046 -0.078 7.358 1.00 5.98 C ATOM 969 CD ARG A 65 -17.597 -0.358 8.769 1.00 6.32 C ATOM 970 NE ARG A 65 -17.914 0.716 9.720 1.00 6.70 N ATOM 971 CZ ARG A 65 -17.471 0.734 10.990 1.00 7.13 C ATOM 972 NH1 ARG A 65 -16.725 -0.272 11.443 1.00 7.25 N ATOM 973 NH2 ARG A 65 -17.787 1.739 11.806 1.00 7.69 N ATOM 0 H ARG A 65 -19.076 2.014 5.528 1.00 5.62 H new ATOM 0 HA ARG A 65 -19.683 -0.715 5.376 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -19.731 1.161 7.739 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -20.056 -0.557 7.858 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -17.801 -0.930 6.724 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.497 0.778 6.967 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -18.063 -1.282 9.111 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -16.520 -0.525 8.771 1.00 6.32 H new ATOM 0 HE ARG A 65 -18.500 1.487 9.401 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -16.492 -1.051 10.828 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -16.387 -0.263 12.405 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -18.370 2.505 11.469 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -17.445 1.742 12.767 1.00 7.69 H new ATOM 987 N GLU A 66 -22.227 1.269 5.999 1.00 7.20 N ATOM 988 CA GLU A 66 -23.682 1.289 5.927 1.00 8.03 C ATOM 989 C GLU A 66 -24.128 0.942 4.521 1.00 8.03 C ATOM 990 O GLU A 66 -25.078 0.205 4.331 1.00 8.42 O ATOM 991 CB GLU A 66 -24.279 2.647 6.341 1.00 8.67 C ATOM 992 CG GLU A 66 -23.742 3.837 5.552 1.00 8.45 C ATOM 993 CD GLU A 66 -24.569 5.081 5.741 1.00 9.17 C ATOM 994 OE1 GLU A 66 -24.440 5.739 6.799 1.00 9.78 O ATOM 995 OE2 GLU A 66 -25.354 5.407 4.823 1.00 9.24 O ATOM 0 H GLU A 66 -21.790 2.166 6.212 1.00 7.20 H new ATOM 0 HA GLU A 66 -24.050 0.547 6.635 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -25.362 2.606 6.222 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -24.081 2.810 7.400 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -22.716 4.038 5.859 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -23.714 3.582 4.493 1.00 8.45 H new ATOM 1002 N HIS A 67 -23.394 1.459 3.531 1.00 7.64 N ATOM 1003 CA HIS A 67 -23.693 1.204 2.134 1.00 7.74 C ATOM 1004 C HIS A 67 -23.560 -0.312 1.800 1.00 7.19 C ATOM 1005 O HIS A 67 -24.274 -0.840 0.938 1.00 7.42 O ATOM 1006 CB HIS A 67 -22.766 2.066 1.251 1.00 7.65 C ATOM 1007 CG HIS A 67 -22.973 1.946 -0.233 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -23.692 2.858 -0.972 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -22.518 1.024 -1.118 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -23.664 2.503 -2.246 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -22.961 1.395 -2.348 1.00 8.28 N ATOM 0 H HIS A 67 -22.584 2.060 3.682 1.00 7.64 H new ATOM 0 HA HIS A 67 -24.727 1.481 1.930 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -22.897 3.111 1.533 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -21.733 1.802 1.477 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -21.916 0.157 -0.888 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -24.136 3.031 -3.061 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -22.777 0.892 -3.216 1.00 8.28 H new ATOM 1020 N ALA A 68 -22.671 -0.986 2.496 1.00 6.53 N ATOM 1021 CA ALA A 68 -22.438 -2.401 2.301 1.00 6.01 C ATOM 1022 C ALA A 68 -23.513 -3.223 2.954 1.00 6.43 C ATOM 1023 O ALA A 68 -24.095 -4.082 2.314 1.00 6.43 O ATOM 1024 CB ALA A 68 -21.091 -2.794 2.845 1.00 5.28 C ATOM 0 H ALA A 68 -22.086 -0.566 3.218 1.00 6.53 H new ATOM 0 HA ALA A 68 -22.459 -2.596 1.229 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -20.933 -3.861 2.690 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -20.312 -2.233 2.328 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -21.051 -2.573 3.912 1.00 5.28 H new ATOM 1030 N GLU A 69 -23.804 -2.961 4.208 1.00 6.88 N ATOM 1031 CA GLU A 69 -24.809 -3.734 4.916 1.00 7.44 C ATOM 1032 C GLU A 69 -26.210 -3.460 4.384 1.00 8.10 C ATOM 1033 O GLU A 69 -27.128 -4.254 4.575 1.00 8.50 O ATOM 1034 CB GLU A 69 -24.687 -3.558 6.433 1.00 7.93 C ATOM 1035 CG GLU A 69 -24.725 -2.128 6.918 1.00 7.64 C ATOM 1036 CD GLU A 69 -24.546 -2.049 8.413 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -23.445 -2.374 8.910 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -25.506 -1.630 9.117 1.00 7.77 O ATOM 0 H GLU A 69 -23.364 -2.224 4.759 1.00 6.88 H new ATOM 0 HA GLU A 69 -24.620 -4.790 4.720 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -25.495 -4.110 6.913 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -23.752 -4.012 6.762 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -23.940 -1.554 6.425 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -25.675 -1.673 6.639 1.00 7.64 H new ATOM 1045 N ALA A 70 -26.341 -2.357 3.681 1.00 8.29 N ATOM 1046 CA ALA A 70 -27.577 -1.971 3.039 1.00 8.98 C ATOM 1047 C ALA A 70 -27.823 -2.788 1.775 1.00 8.74 C ATOM 1048 O ALA A 70 -28.943 -2.810 1.255 1.00 9.31 O ATOM 1049 CB ALA A 70 -27.509 -0.511 2.647 1.00 9.41 C ATOM 0 H ALA A 70 -25.580 -1.693 3.537 1.00 8.29 H new ATOM 0 HA ALA A 70 -28.388 -2.149 3.745 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -28.441 -0.220 2.163 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -27.358 0.098 3.538 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -26.679 -0.358 1.957 1.00 9.41 H new ATOM 1055 N LYS A 71 -26.776 -3.425 1.259 1.00 7.94 N ATOM 1056 CA LYS A 71 -26.872 -4.146 -0.006 1.00 7.72 C ATOM 1057 C LYS A 71 -26.144 -5.468 0.059 1.00 7.00 C ATOM 1058 O LYS A 71 -26.756 -6.505 0.191 1.00 7.10 O ATOM 1059 CB LYS A 71 -26.306 -3.282 -1.150 1.00 7.70 C ATOM 1060 CG LYS A 71 -27.027 -1.955 -1.340 1.00 8.55 C ATOM 1061 CD LYS A 71 -28.474 -2.170 -1.782 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.265 -0.867 -1.875 1.00 10.04 C ATOM 1063 NZ LYS A 71 -29.392 -0.186 -0.564 1.00 10.32 N ATOM 0 H LYS A 71 -25.855 -3.457 1.695 1.00 7.94 H new ATOM 0 HA LYS A 71 -27.925 -4.353 -0.199 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -25.252 -3.086 -0.956 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -26.359 -3.849 -2.080 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -27.009 -1.392 -0.407 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -26.502 -1.356 -2.084 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -28.483 -2.665 -2.753 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -28.968 -2.840 -1.078 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -28.775 -0.198 -2.583 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -30.259 -1.076 -2.270 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -30.326 0.266 -0.497 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -29.289 -0.883 0.201 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -28.650 0.537 -0.475 1.00 10.32 H new ATOM 1077 N HIS A 72 -24.820 -5.392 0.031 1.00 6.33 N ATOM 1078 CA HIS A 72 -23.905 -6.553 0.041 1.00 5.62 C ATOM 1079 C HIS A 72 -24.318 -7.709 -0.883 1.00 5.65 C ATOM 1080 O HIS A 72 -24.624 -8.795 -0.420 1.00 5.60 O ATOM 1081 CB HIS A 72 -23.526 -7.056 1.478 1.00 5.47 C ATOM 1082 CG HIS A 72 -24.682 -7.559 2.338 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -25.003 -8.898 2.463 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -25.566 -6.890 3.128 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -26.027 -9.032 3.281 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -26.391 -7.828 3.701 1.00 7.47 N ATOM 0 H HIS A 72 -24.327 -4.500 -0.000 1.00 6.33 H new ATOM 0 HA HIS A 72 -22.992 -6.147 -0.394 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -22.796 -7.860 1.379 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -23.033 -6.241 2.008 1.00 5.47 H new ATOM 0 HD2 HIS A 72 -25.611 -5.821 3.277 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -26.492 -9.965 3.562 1.00 7.21 H new ATOM 0 HE2 HIS A 72 -27.158 -7.630 4.344 1.00 7.47 H new ATOM 1095 N PRO A 73 -24.365 -7.478 -2.196 1.00 5.90 N ATOM 1096 CA PRO A 73 -24.717 -8.524 -3.129 1.00 6.06 C ATOM 1097 C PRO A 73 -23.568 -9.487 -3.453 1.00 5.49 C ATOM 1098 O PRO A 73 -23.654 -10.690 -3.171 1.00 5.49 O ATOM 1099 CB PRO A 73 -25.191 -7.767 -4.373 1.00 6.60 C ATOM 1100 CG PRO A 73 -24.514 -6.431 -4.318 1.00 6.81 C ATOM 1101 CD PRO A 73 -24.168 -6.166 -2.869 1.00 6.21 C ATOM 0 HA PRO A 73 -25.478 -9.181 -2.708 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -24.924 -8.304 -5.283 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -26.275 -7.657 -4.374 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -23.615 -6.429 -4.935 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -25.169 -5.651 -4.706 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -23.141 -5.815 -2.763 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -24.813 -5.399 -2.440 1.00 6.21 H new ATOM 1109 N LYS A 74 -22.482 -8.976 -4.008 1.00 5.12 N ATOM 1110 CA LYS A 74 -21.432 -9.854 -4.456 1.00 4.75 C ATOM 1111 C LYS A 74 -20.083 -9.145 -4.568 1.00 4.46 C ATOM 1112 O LYS A 74 -19.862 -8.311 -5.444 1.00 4.75 O ATOM 1113 CB LYS A 74 -21.879 -10.548 -5.779 1.00 5.23 C ATOM 1114 CG LYS A 74 -22.304 -9.583 -6.899 1.00 5.74 C ATOM 1115 CD LYS A 74 -22.930 -10.310 -8.111 1.00 6.36 C ATOM 1116 CE LYS A 74 -24.239 -11.042 -7.741 1.00 6.91 C ATOM 1117 NZ LYS A 74 -24.895 -11.685 -8.915 1.00 7.32 N ATOM 0 H LYS A 74 -22.312 -7.981 -4.154 1.00 5.12 H new ATOM 0 HA LYS A 74 -21.269 -10.627 -3.705 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -21.059 -11.167 -6.143 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -22.711 -11.217 -5.559 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -23.022 -8.866 -6.501 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -21.436 -9.014 -7.231 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -23.131 -9.587 -8.902 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -22.214 -11.029 -8.511 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -24.025 -11.802 -6.990 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -24.931 -10.332 -7.288 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -25.767 -12.161 -8.608 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -25.127 -10.960 -9.623 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -24.249 -12.384 -9.334 1.00 7.32 H new ATOM 1131 N ALA A 75 -19.208 -9.455 -3.645 1.00 4.19 N ATOM 1132 CA ALA A 75 -17.853 -8.906 -3.666 1.00 4.02 C ATOM 1133 C ALA A 75 -16.957 -9.751 -4.562 1.00 4.43 C ATOM 1134 O ALA A 75 -16.391 -10.738 -4.117 1.00 4.52 O ATOM 1135 CB ALA A 75 -17.257 -8.779 -2.262 1.00 3.36 C ATOM 0 H ALA A 75 -19.398 -10.084 -2.865 1.00 4.19 H new ATOM 0 HA ALA A 75 -17.914 -7.897 -4.075 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -16.250 -8.367 -2.330 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -17.880 -8.117 -1.661 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -17.216 -9.763 -1.794 1.00 3.36 H new ATOM 1141 N ASP A 76 -16.900 -9.398 -5.845 1.00 5.01 N ATOM 1142 CA ASP A 76 -16.099 -10.154 -6.837 1.00 5.63 C ATOM 1143 C ASP A 76 -14.947 -9.329 -7.370 1.00 5.81 C ATOM 1144 O ASP A 76 -13.801 -9.550 -7.022 1.00 5.63 O ATOM 1145 CB ASP A 76 -16.975 -10.619 -7.987 1.00 6.39 C ATOM 1146 CG ASP A 76 -16.205 -11.436 -9.025 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -15.964 -12.632 -8.783 1.00 6.80 O ATOM 1148 OD2 ASP A 76 -15.850 -10.886 -10.074 1.00 6.82 O ATOM 0 H ASP A 76 -17.395 -8.595 -6.233 1.00 5.01 H new ATOM 0 HA ASP A 76 -15.685 -11.023 -6.326 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -17.795 -11.220 -7.593 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -17.421 -9.751 -8.472 1.00 6.39 H new ATOM 1153 N VAL A 77 -15.249 -8.346 -8.200 1.00 6.30 N ATOM 1154 CA VAL A 77 -14.212 -7.447 -8.694 1.00 6.58 C ATOM 1155 C VAL A 77 -13.866 -6.438 -7.599 1.00 5.93 C ATOM 1156 O VAL A 77 -12.851 -5.760 -7.639 1.00 6.00 O ATOM 1157 CB VAL A 77 -14.640 -6.734 -9.995 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -14.966 -7.763 -11.066 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -15.825 -5.809 -9.757 1.00 7.55 C ATOM 0 H VAL A 77 -16.189 -8.149 -8.544 1.00 6.30 H new ATOM 0 HA VAL A 77 -13.327 -8.034 -8.941 1.00 6.58 H new ATOM 0 HB VAL A 77 -13.809 -6.118 -10.337 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -15.267 -7.253 -11.981 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -14.085 -8.374 -11.264 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -15.780 -8.401 -10.722 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -16.101 -5.323 -10.693 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -16.670 -6.389 -9.386 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -15.554 -5.052 -9.021 1.00 7.55 H new ATOM 1169 N VAL A 78 -14.740 -6.386 -6.611 1.00 5.38 N ATOM 1170 CA VAL A 78 -14.542 -5.577 -5.441 1.00 4.74 C ATOM 1171 C VAL A 78 -14.159 -6.484 -4.267 1.00 4.00 C ATOM 1172 O VAL A 78 -14.122 -6.055 -3.129 1.00 3.42 O ATOM 1173 CB VAL A 78 -15.821 -4.744 -5.080 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -16.230 -3.829 -6.224 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -16.986 -5.639 -4.668 1.00 4.70 C ATOM 0 H VAL A 78 -15.614 -6.913 -6.606 1.00 5.38 H new ATOM 0 HA VAL A 78 -13.742 -4.867 -5.648 1.00 4.74 H new ATOM 0 HB VAL A 78 -15.560 -4.123 -4.223 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -17.120 -3.267 -5.940 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -15.418 -3.136 -6.444 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -16.446 -4.427 -7.109 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -17.851 -5.022 -4.426 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -17.237 -6.310 -5.489 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -16.703 -6.225 -3.794 1.00 4.70 H new ATOM 1185 N ALA A 79 -13.855 -7.765 -4.571 1.00 4.18 N ATOM 1186 CA ALA A 79 -13.455 -8.745 -3.530 1.00 3.76 C ATOM 1187 C ALA A 79 -12.188 -8.327 -2.811 1.00 3.69 C ATOM 1188 O ALA A 79 -11.890 -8.814 -1.731 1.00 3.56 O ATOM 1189 CB ALA A 79 -13.255 -10.124 -4.129 1.00 4.24 C ATOM 0 H ALA A 79 -13.878 -8.144 -5.518 1.00 4.18 H new ATOM 0 HA ALA A 79 -14.269 -8.776 -2.806 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -12.962 -10.822 -3.345 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -14.186 -10.461 -4.586 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -12.473 -10.081 -4.887 1.00 4.24 H new ATOM 1195 N CYS A 80 -11.454 -7.434 -3.411 1.00 4.00 N ATOM 1196 CA CYS A 80 -10.245 -6.920 -2.843 1.00 4.07 C ATOM 1197 C CYS A 80 -10.538 -5.899 -1.746 1.00 3.33 C ATOM 1198 O CYS A 80 -9.640 -5.525 -0.980 1.00 3.38 O ATOM 1199 CB CYS A 80 -9.399 -6.328 -3.942 1.00 4.73 C ATOM 1200 SG CYS A 80 -8.909 -7.508 -5.224 1.00 5.60 S ATOM 0 H CYS A 80 -11.684 -7.038 -4.322 1.00 4.00 H new ATOM 0 HA CYS A 80 -9.694 -7.734 -2.371 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -9.950 -5.511 -4.408 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -8.501 -5.896 -3.500 1.00 4.73 H new ATOM 0 HG CYS A 80 -8.189 -6.901 -6.120 1.00 5.60 H new ATOM 1206 N PHE A 81 -11.766 -5.459 -1.676 1.00 2.86 N ATOM 1207 CA PHE A 81 -12.197 -4.584 -0.620 1.00 2.27 C ATOM 1208 C PHE A 81 -13.716 -4.847 -0.414 1.00 2.17 C ATOM 1209 O PHE A 81 -14.566 -4.063 -0.861 1.00 2.52 O ATOM 1210 CB PHE A 81 -11.931 -3.113 -1.020 1.00 2.41 C ATOM 1211 CG PHE A 81 -11.900 -2.116 0.119 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -12.672 -2.273 1.242 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -11.092 -0.991 0.022 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -12.630 -1.345 2.248 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -11.053 -0.063 1.024 1.00 4.68 C ATOM 1216 CZ PHE A 81 -11.826 -0.238 2.137 1.00 5.13 C ATOM 0 H PHE A 81 -12.495 -5.697 -2.349 1.00 2.86 H new ATOM 0 HA PHE A 81 -11.654 -4.770 0.306 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -10.977 -3.066 -1.545 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -12.700 -2.804 -1.728 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -13.317 -3.134 1.333 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -10.485 -0.847 -0.859 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -13.233 -1.485 3.133 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -10.415 0.804 0.937 1.00 4.68 H new ATOM 0 HZ PHE A 81 -11.804 0.495 2.930 1.00 5.13 H new ATOM 1226 N PRO A 82 -14.080 -5.994 0.235 1.00 2.09 N ATOM 1227 CA PRO A 82 -15.492 -6.453 0.375 1.00 2.39 C ATOM 1228 C PRO A 82 -16.354 -5.570 1.270 1.00 2.74 C ATOM 1229 O PRO A 82 -17.478 -5.942 1.614 1.00 3.27 O ATOM 1230 CB PRO A 82 -15.363 -7.841 1.014 1.00 2.47 C ATOM 1231 CG PRO A 82 -13.943 -8.233 0.805 1.00 2.41 C ATOM 1232 CD PRO A 82 -13.154 -6.959 0.862 1.00 2.19 C ATOM 0 HA PRO A 82 -15.988 -6.434 -0.595 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -15.612 -7.811 2.075 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -16.042 -8.555 0.547 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -13.613 -8.932 1.574 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -13.812 -8.731 -0.156 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -12.905 -6.679 1.886 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -12.214 -7.037 0.315 1.00 2.19 H new ATOM 1240 N HIS A 83 -15.845 -4.433 1.656 1.00 2.68 N ATOM 1241 CA HIS A 83 -16.630 -3.478 2.427 1.00 3.26 C ATOM 1242 C HIS A 83 -17.326 -2.520 1.467 1.00 3.66 C ATOM 1243 O HIS A 83 -18.111 -1.688 1.879 1.00 4.25 O ATOM 1244 CB HIS A 83 -15.759 -2.659 3.417 1.00 3.25 C ATOM 1245 CG HIS A 83 -14.991 -3.444 4.456 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -13.840 -2.987 5.058 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -15.225 -4.640 4.991 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -13.402 -3.871 5.914 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -14.223 -4.898 5.894 1.00 4.19 N ATOM 0 H HIS A 83 -14.891 -4.135 1.455 1.00 2.68 H new ATOM 0 HA HIS A 83 -17.355 -4.042 3.014 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -15.046 -2.073 2.838 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -16.407 -1.952 3.935 1.00 3.25 H new ATOM 0 HD1 HIS A 83 -13.395 -2.090 4.864 1.00 3.86 H new ATOM 0 HD2 HIS A 83 -16.054 -5.291 4.757 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -12.520 -3.775 6.530 1.00 4.24 H new ATOM 1258 N LEU A 84 -17.027 -2.659 0.170 1.00 3.56 N ATOM 1259 CA LEU A 84 -17.542 -1.733 -0.848 1.00 4.20 C ATOM 1260 C LEU A 84 -18.372 -2.491 -1.890 1.00 4.81 C ATOM 1261 O LEU A 84 -18.562 -1.989 -2.987 1.00 5.47 O ATOM 1262 CB LEU A 84 -16.360 -1.108 -1.590 1.00 4.05 C ATOM 1263 CG LEU A 84 -15.151 -0.672 -0.756 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -14.103 -0.059 -1.668 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -15.528 0.300 0.362 1.00 3.49 C ATOM 0 H LEU A 84 -16.433 -3.401 -0.200 1.00 3.56 H new ATOM 0 HA LEU A 84 -18.154 -0.980 -0.351 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -16.014 -1.825 -2.335 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -16.726 -0.236 -2.132 1.00 4.05 H new ATOM 0 HG LEU A 84 -14.745 -1.559 -0.270 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -13.242 0.252 -1.076 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -13.788 -0.796 -2.407 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -14.525 0.808 -2.177 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -14.634 0.576 0.921 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -15.977 1.195 -0.070 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -16.243 -0.177 1.033 1.00 3.49 H new ATOM 1277 N LYS A 85 -18.863 -3.691 -1.516 1.00 4.68 N ATOM 1278 CA LYS A 85 -19.559 -4.603 -2.412 1.00 5.28 C ATOM 1279 C LYS A 85 -20.499 -3.980 -3.491 1.00 6.06 C ATOM 1280 O LYS A 85 -20.444 -4.384 -4.642 1.00 6.40 O ATOM 1281 CB LYS A 85 -20.334 -5.613 -1.631 1.00 5.04 C ATOM 1282 CG LYS A 85 -19.545 -6.462 -0.662 1.00 5.59 C ATOM 1283 CD LYS A 85 -20.412 -7.620 -0.160 1.00 6.41 C ATOM 1284 CE LYS A 85 -19.669 -8.586 0.773 1.00 7.19 C ATOM 1285 NZ LYS A 85 -19.243 -7.970 2.068 1.00 8.04 N ATOM 0 H LYS A 85 -18.779 -4.048 -0.564 1.00 4.68 H new ATOM 0 HA LYS A 85 -18.742 -5.047 -2.980 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -21.111 -5.091 -1.073 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -20.838 -6.276 -2.335 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -18.651 -6.850 -1.150 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -19.211 -5.855 0.179 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -21.277 -7.214 0.365 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -20.792 -8.176 -1.017 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -20.313 -9.440 0.983 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -18.789 -8.969 0.257 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -19.064 -8.719 2.767 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -18.373 -7.419 1.921 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -19.995 -7.343 2.418 1.00 8.04 H new ATOM 1299 N LYS A 86 -21.380 -3.068 -3.103 1.00 6.60 N ATOM 1300 CA LYS A 86 -22.320 -2.489 -4.065 1.00 7.50 C ATOM 1301 C LYS A 86 -21.778 -1.217 -4.731 1.00 8.13 C ATOM 1302 O LYS A 86 -21.204 -1.315 -5.815 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.702 -2.246 -3.417 1.00 8.04 C ATOM 1304 CG LYS A 86 -24.718 -1.543 -4.324 1.00 8.96 C ATOM 1305 CD LYS A 86 -24.947 -2.288 -5.630 1.00 9.74 C ATOM 1306 CE LYS A 86 -25.902 -1.527 -6.533 1.00 10.66 C ATOM 1307 NZ LYS A 86 -26.062 -2.164 -7.857 1.00 11.10 N ATOM 1308 OXT LYS A 86 -21.992 -0.104 -4.184 1.00 8.37 O ATOM 0 H LYS A 86 -21.467 -2.716 -2.150 1.00 6.60 H new ATOM 0 HA LYS A 86 -22.445 -3.222 -4.862 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -24.116 -3.205 -3.105 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -23.566 -1.649 -2.515 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -25.666 -1.445 -3.795 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -24.368 -0.534 -4.542 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -23.995 -2.433 -6.141 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -25.351 -3.279 -5.421 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -26.876 -1.456 -6.048 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -25.537 -0.509 -6.666 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -26.723 -1.605 -8.433 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -25.139 -2.209 -8.334 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -26.436 -3.127 -7.736 1.00 11.10 H new TER 1322 LYS A 86