USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=23 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 67 HIS : no HD1:sc= -0.483 K(o=-5.1,f=-3.6) USER MOD Set 1.2: A 72 HIS : no HE2:sc= -4.62! C(o=-5.1!,f=-9.4!) USER MOD Set 2.1: A 41 LYS NZ :NH3+ 176:sc= 0.138 (180deg=-1.01) USER MOD Set 2.2: A 54 THR OG1 : rot 120:sc= 2.25 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 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.453 K(o=0.45,f=-1.5!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -1.26 X(o=-1.3,f=-1.3) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 140:sc= 0 USER MOD Single : A 19 MET CE :methyl 163:sc= -0.0997 (180deg=-0.514) USER MOD Single : A 23 LYS NZ :NH3+ -170:sc= -0.0276 (180deg=-0.522) USER MOD Single : A 24 ASN : amide:sc= -2.41! C(o=-2.4!,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.27) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -0.901! (180deg=-1.16!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= -1.26 K(o=-1.3,f=-2.8!) USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= -0.0108 (180deg=-0.108) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 133:sc= -0.268 USER MOD Single : A 47 GLN : amide:sc= -2.98! C(o=-3!,f=-1.7!) USER MOD Single : A 48 CYS SG : rot 15:sc= -4.68! USER MOD Single : A 49 LYS NZ :NH3+ -149:sc= 1.19 (180deg=0.533) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 164:sc= -0.0713 (180deg=-0.399) USER MOD Single : A 53 GLN : amide:sc= -2.49! K(o=-2.5!,f=-0.035) USER MOD Single : A 57 CYS SG : rot 48:sc= -0.735 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0587 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 73:sc= 0.186 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.370 27.712 -6.633 1.00 19.14 N ATOM 2 CA GLY A 1 12.872 26.353 -6.808 1.00 18.53 C ATOM 3 C GLY A 1 13.764 25.905 -5.674 1.00 18.04 C ATOM 4 O GLY A 1 14.950 26.203 -5.660 1.00 17.99 O ATOM 0 H1 GLY A 1 11.765 27.965 -7.440 1.00 19.14 H new ATOM 0 H2 GLY A 1 11.816 27.767 -5.754 1.00 19.14 H new ATOM 0 H3 GLY A 1 13.171 28.374 -6.580 1.00 19.14 H new ATOM 0 HA2 GLY A 1 12.029 25.668 -6.893 1.00 18.53 H new ATOM 0 HA3 GLY A 1 13.426 26.294 -7.745 1.00 18.53 H new ATOM 10 N HIS A 2 13.180 25.218 -4.701 1.00 17.81 N ATOM 11 CA HIS A 2 13.930 24.665 -3.575 1.00 17.49 C ATOM 12 C HIS A 2 13.824 23.153 -3.533 1.00 16.98 C ATOM 13 O HIS A 2 14.608 22.483 -2.875 1.00 17.17 O ATOM 14 CB HIS A 2 13.510 25.287 -2.221 1.00 17.97 C ATOM 15 CG HIS A 2 13.979 26.702 -2.020 1.00 18.64 C ATOM 16 ND1 HIS A 2 15.068 27.030 -1.244 1.00 19.07 N ATOM 17 CD2 HIS A 2 13.499 27.873 -2.490 1.00 19.08 C ATOM 18 CE1 HIS A 2 15.238 28.339 -1.244 1.00 19.72 C ATOM 19 NE2 HIS A 2 14.297 28.871 -1.996 1.00 19.74 N ATOM 0 H HIS A 2 12.178 25.028 -4.667 1.00 17.81 H new ATOM 0 HA HIS A 2 14.975 24.930 -3.736 1.00 17.49 H new ATOM 0 HB2 HIS A 2 12.423 25.262 -2.144 1.00 17.97 H new ATOM 0 HB3 HIS A 2 13.901 24.668 -1.413 1.00 17.97 H new ATOM 0 HD2 HIS A 2 12.643 28.000 -3.137 1.00 19.08 H new ATOM 0 HE1 HIS A 2 16.013 28.879 -0.720 1.00 19.72 H new ATOM 0 HE2 HIS A 2 14.181 29.867 -2.181 1.00 19.74 H new ATOM 28 N HIS A 3 12.842 22.614 -4.231 1.00 16.46 N ATOM 29 CA HIS A 3 12.651 21.174 -4.306 1.00 16.07 C ATOM 30 C HIS A 3 12.452 20.798 -5.771 1.00 15.28 C ATOM 31 O HIS A 3 11.636 21.400 -6.452 1.00 15.31 O ATOM 32 CB HIS A 3 11.429 20.716 -3.456 1.00 16.31 C ATOM 33 CG HIS A 3 11.496 21.076 -1.994 1.00 16.79 C ATOM 34 ND1 HIS A 3 10.544 21.832 -1.367 1.00 17.14 N ATOM 35 CD2 HIS A 3 12.413 20.756 -1.030 1.00 17.13 C ATOM 36 CE1 HIS A 3 10.854 21.975 -0.092 1.00 17.67 C ATOM 37 NE2 HIS A 3 11.983 21.335 0.141 1.00 17.67 N ATOM 0 H HIS A 3 12.158 23.156 -4.759 1.00 16.46 H new ATOM 0 HA HIS A 3 13.528 20.671 -3.900 1.00 16.07 H new ATOM 0 HB2 HIS A 3 10.526 21.154 -3.881 1.00 16.31 H new ATOM 0 HB3 HIS A 3 11.330 19.634 -3.544 1.00 16.31 H new ATOM 0 HD2 HIS A 3 13.305 20.162 -1.163 1.00 17.13 H new ATOM 0 HE1 HIS A 3 10.279 22.525 0.639 1.00 17.67 H new ATOM 0 HE2 HIS A 3 12.459 21.279 1.041 1.00 17.67 H new ATOM 46 N HIS A 4 13.227 19.858 -6.255 1.00 14.74 N ATOM 47 CA HIS A 4 13.140 19.449 -7.651 1.00 14.10 C ATOM 48 C HIS A 4 12.315 18.175 -7.806 1.00 13.70 C ATOM 49 O HIS A 4 11.349 18.145 -8.555 1.00 14.01 O ATOM 50 CB HIS A 4 14.541 19.279 -8.294 1.00 13.88 C ATOM 51 CG HIS A 4 15.348 20.554 -8.397 1.00 13.85 C ATOM 52 ND1 HIS A 4 15.782 21.061 -9.593 1.00 14.10 N ATOM 53 CD2 HIS A 4 15.824 21.402 -7.447 1.00 13.80 C ATOM 54 CE1 HIS A 4 16.480 22.150 -9.386 1.00 14.18 C ATOM 55 NE2 HIS A 4 16.520 22.380 -8.104 1.00 14.00 N ATOM 0 H HIS A 4 13.928 19.357 -5.709 1.00 14.74 H new ATOM 0 HA HIS A 4 12.630 20.251 -8.185 1.00 14.10 H new ATOM 0 HB2 HIS A 4 15.107 18.553 -7.711 1.00 13.88 H new ATOM 0 HB3 HIS A 4 14.419 18.861 -9.293 1.00 13.88 H new ATOM 0 HD2 HIS A 4 15.681 21.320 -6.380 1.00 13.80 H new ATOM 0 HE1 HIS A 4 16.945 22.756 -10.150 1.00 14.18 H new ATOM 0 HE2 HIS A 4 16.995 23.166 -7.660 1.00 14.00 H new ATOM 64 N HIS A 5 12.686 17.136 -7.089 1.00 13.18 N ATOM 65 CA HIS A 5 11.963 15.870 -7.152 1.00 12.93 C ATOM 66 C HIS A 5 12.314 15.039 -5.955 1.00 12.32 C ATOM 67 O HIS A 5 13.152 15.437 -5.157 1.00 12.40 O ATOM 68 CB HIS A 5 12.242 15.081 -8.471 1.00 13.06 C ATOM 69 CG HIS A 5 13.681 14.714 -8.699 1.00 13.43 C ATOM 70 ND1 HIS A 5 14.250 13.530 -8.256 1.00 13.64 N ATOM 71 CD2 HIS A 5 14.672 15.384 -9.327 1.00 13.81 C ATOM 72 CE1 HIS A 5 15.525 13.505 -8.609 1.00 14.12 C ATOM 73 NE2 HIS A 5 15.796 14.612 -9.261 1.00 14.24 N ATOM 0 H HIS A 5 13.484 17.136 -6.453 1.00 13.18 H new ATOM 0 HA HIS A 5 10.897 16.095 -7.149 1.00 12.93 H new ATOM 0 HB2 HIS A 5 11.647 14.168 -8.463 1.00 13.06 H new ATOM 0 HB3 HIS A 5 11.897 15.679 -9.314 1.00 13.06 H new ATOM 0 HD1 HIS A 5 13.764 12.796 -7.741 1.00 13.64 H new ATOM 0 HD2 HIS A 5 14.590 16.354 -9.796 1.00 13.81 H new ATOM 0 HE1 HIS A 5 16.224 12.709 -8.397 1.00 14.12 H new ATOM 82 N HIS A 6 11.679 13.900 -5.835 1.00 11.88 N ATOM 83 CA HIS A 6 11.927 12.999 -4.727 1.00 11.42 C ATOM 84 C HIS A 6 12.291 11.635 -5.321 1.00 10.42 C ATOM 85 O HIS A 6 12.777 11.565 -6.464 1.00 10.22 O ATOM 86 CB HIS A 6 10.653 12.867 -3.835 1.00 11.97 C ATOM 87 CG HIS A 6 10.139 14.167 -3.256 1.00 12.55 C ATOM 88 ND1 HIS A 6 10.684 14.788 -2.155 1.00 12.82 N ATOM 89 CD2 HIS A 6 9.102 14.951 -3.642 1.00 13.11 C ATOM 90 CE1 HIS A 6 10.008 15.890 -1.891 1.00 13.49 C ATOM 91 NE2 HIS A 6 9.043 16.017 -2.777 1.00 13.67 N ATOM 0 H HIS A 6 10.978 13.568 -6.497 1.00 11.88 H new ATOM 0 HA HIS A 6 12.734 13.380 -4.102 1.00 11.42 H new ATOM 0 HB2 HIS A 6 9.859 12.412 -4.427 1.00 11.97 H new ATOM 0 HB3 HIS A 6 10.871 12.183 -3.015 1.00 11.97 H new ATOM 0 HD2 HIS A 6 8.442 14.770 -4.478 1.00 13.11 H new ATOM 0 HE1 HIS A 6 10.213 16.575 -1.081 1.00 13.49 H new ATOM 0 HE2 HIS A 6 8.365 16.779 -2.815 1.00 13.67 H new ATOM 100 N HIS A 7 12.084 10.600 -4.553 1.00 9.98 N ATOM 101 CA HIS A 7 12.283 9.225 -4.968 1.00 9.18 C ATOM 102 C HIS A 7 11.151 8.428 -4.385 1.00 9.04 C ATOM 103 O HIS A 7 10.446 8.960 -3.527 1.00 9.71 O ATOM 104 CB HIS A 7 13.666 8.663 -4.535 1.00 9.12 C ATOM 105 CG HIS A 7 13.951 8.721 -3.057 1.00 9.44 C ATOM 106 ND1 HIS A 7 14.203 7.605 -2.274 1.00 9.56 N ATOM 107 CD2 HIS A 7 14.118 9.784 -2.238 1.00 9.92 C ATOM 108 CE1 HIS A 7 14.514 8.009 -1.059 1.00 10.08 C ATOM 109 NE2 HIS A 7 14.465 9.308 -1.021 1.00 10.30 N ATOM 0 H HIS A 7 11.762 10.686 -3.589 1.00 9.98 H new ATOM 0 HA HIS A 7 12.284 9.161 -6.056 1.00 9.18 H new ATOM 0 HB2 HIS A 7 13.736 7.625 -4.861 1.00 9.12 H new ATOM 0 HB3 HIS A 7 14.445 9.216 -5.060 1.00 9.12 H new ATOM 0 HD1 HIS A 7 14.156 6.635 -2.586 1.00 9.56 H new ATOM 0 HD2 HIS A 7 13.996 10.823 -2.507 1.00 9.92 H new ATOM 0 HE1 HIS A 7 14.768 7.366 -0.229 1.00 10.08 H new ATOM 118 N LEU A 8 11.006 7.176 -4.817 1.00 8.37 N ATOM 119 CA LEU A 8 9.877 6.326 -4.470 1.00 8.37 C ATOM 120 C LEU A 8 8.636 6.764 -5.240 1.00 8.86 C ATOM 121 O LEU A 8 7.860 7.605 -4.793 1.00 9.23 O ATOM 122 CB LEU A 8 9.624 6.207 -2.939 1.00 9.01 C ATOM 123 CG LEU A 8 8.425 5.342 -2.519 1.00 9.38 C ATOM 124 CD1 LEU A 8 8.583 3.915 -3.015 1.00 9.11 C ATOM 125 CD2 LEU A 8 8.240 5.378 -1.010 1.00 10.10 C ATOM 0 H LEU A 8 11.683 6.720 -5.428 1.00 8.37 H new ATOM 0 HA LEU A 8 10.133 5.312 -4.777 1.00 8.37 H new ATOM 0 HB2 LEU A 8 10.521 5.800 -2.473 1.00 9.01 H new ATOM 0 HB3 LEU A 8 9.482 7.210 -2.535 1.00 9.01 H new ATOM 0 HG LEU A 8 7.529 5.757 -2.980 1.00 9.38 H new ATOM 0 HD11 LEU A 8 7.721 3.324 -2.704 1.00 9.11 H new ATOM 0 HD12 LEU A 8 8.651 3.913 -4.103 1.00 9.11 H new ATOM 0 HD13 LEU A 8 9.490 3.482 -2.594 1.00 9.11 H new ATOM 0 HD21 LEU A 8 7.386 4.759 -0.733 1.00 10.10 H new ATOM 0 HD22 LEU A 8 9.138 4.996 -0.524 1.00 10.10 H new ATOM 0 HD23 LEU A 8 8.063 6.405 -0.689 1.00 10.10 H new ATOM 137 N GLU A 9 8.487 6.207 -6.439 1.00 9.12 N ATOM 138 CA GLU A 9 7.341 6.506 -7.310 1.00 9.86 C ATOM 139 C GLU A 9 6.157 5.609 -6.900 1.00 9.89 C ATOM 140 O GLU A 9 5.098 5.614 -7.527 1.00 10.56 O ATOM 141 CB GLU A 9 7.702 6.179 -8.769 1.00 10.56 C ATOM 142 CG GLU A 9 8.971 6.832 -9.317 1.00 11.13 C ATOM 143 CD GLU A 9 8.942 8.348 -9.407 1.00 11.53 C ATOM 144 OE1 GLU A 9 8.144 8.899 -10.194 1.00 11.70 O ATOM 145 OE2 GLU A 9 9.634 9.001 -8.620 1.00 11.87 O ATOM 0 H GLU A 9 9.148 5.540 -6.837 1.00 9.12 H new ATOM 0 HA GLU A 9 7.081 7.560 -7.215 1.00 9.86 H new ATOM 0 HB2 GLU A 9 7.807 5.098 -8.861 1.00 10.56 H new ATOM 0 HB3 GLU A 9 6.865 6.473 -9.402 1.00 10.56 H new ATOM 0 HG2 GLU A 9 9.810 6.539 -8.686 1.00 11.13 H new ATOM 0 HG3 GLU A 9 9.164 6.430 -10.312 1.00 11.13 H new ATOM 152 N GLY A 10 6.374 4.831 -5.867 1.00 9.36 N ATOM 153 CA GLY A 10 5.389 3.882 -5.408 1.00 9.60 C ATOM 154 C GLY A 10 6.059 2.570 -5.104 1.00 8.87 C ATOM 155 O GLY A 10 5.701 1.881 -4.163 1.00 9.04 O ATOM 0 H GLY A 10 7.236 4.838 -5.322 1.00 9.36 H new ATOM 0 HA2 GLY A 10 4.890 4.262 -4.517 1.00 9.60 H new ATOM 0 HA3 GLY A 10 4.621 3.742 -6.169 1.00 9.60 H new ATOM 159 N GLY A 11 7.060 2.250 -5.905 1.00 8.30 N ATOM 160 CA GLY A 11 7.819 1.050 -5.686 1.00 7.80 C ATOM 161 C GLY A 11 7.724 0.092 -6.835 1.00 8.13 C ATOM 162 O GLY A 11 6.928 0.301 -7.764 1.00 8.45 O ATOM 0 H GLY A 11 7.358 2.806 -6.706 1.00 8.30 H new ATOM 0 HA2 GLY A 11 8.864 1.311 -5.520 1.00 7.80 H new ATOM 0 HA3 GLY A 11 7.465 0.560 -4.779 1.00 7.80 H new ATOM 166 N GLY A 12 8.539 -0.934 -6.806 1.00 8.34 N ATOM 167 CA GLY A 12 8.481 -1.945 -7.823 1.00 8.95 C ATOM 168 C GLY A 12 9.691 -1.956 -8.710 1.00 8.79 C ATOM 169 O GLY A 12 10.683 -2.630 -8.404 1.00 9.24 O ATOM 0 H GLY A 12 9.248 -1.087 -6.089 1.00 8.34 H new ATOM 0 HA2 GLY A 12 8.375 -2.922 -7.351 1.00 8.95 H new ATOM 0 HA3 GLY A 12 7.592 -1.788 -8.433 1.00 8.95 H new ATOM 173 N ASN A 13 9.635 -1.196 -9.791 1.00 8.39 N ATOM 174 CA ASN A 13 10.688 -1.219 -10.802 1.00 8.53 C ATOM 175 C ASN A 13 10.741 0.103 -11.551 1.00 9.29 C ATOM 176 O ASN A 13 9.735 0.805 -11.623 1.00 9.68 O ATOM 177 CB ASN A 13 10.470 -2.388 -11.799 1.00 8.84 C ATOM 178 CG ASN A 13 9.158 -2.311 -12.577 1.00 9.25 C ATOM 179 OD1 ASN A 13 9.095 -1.737 -13.656 1.00 9.50 O ATOM 180 ND2 ASN A 13 8.106 -2.911 -12.042 1.00 9.58 N ATOM 0 H ASN A 13 8.870 -0.552 -9.995 1.00 8.39 H new ATOM 0 HA ASN A 13 11.640 -1.371 -10.293 1.00 8.53 H new ATOM 0 HB2 ASN A 13 11.299 -2.406 -12.507 1.00 8.84 H new ATOM 0 HB3 ASN A 13 10.499 -3.329 -11.250 1.00 8.84 H new ATOM 0 HD21 ASN A 13 7.211 -2.903 -12.531 1.00 9.58 H new ATOM 0 HD22 ASN A 13 8.191 -3.381 -11.141 1.00 9.58 H new ATOM 187 N ALA A 14 11.919 0.424 -12.100 1.00 9.70 N ATOM 188 CA ALA A 14 12.145 1.649 -12.865 1.00 10.58 C ATOM 189 C ALA A 14 13.451 1.524 -13.659 1.00 11.08 C ATOM 190 O ALA A 14 14.321 0.681 -13.332 1.00 11.12 O ATOM 191 CB ALA A 14 12.187 2.874 -11.952 1.00 10.70 C ATOM 0 H ALA A 14 12.747 -0.167 -12.023 1.00 9.70 H new ATOM 0 HA ALA A 14 11.314 1.784 -13.557 1.00 10.58 H new ATOM 0 HB1 ALA A 14 12.357 3.769 -12.551 1.00 10.70 H new ATOM 0 HB2 ALA A 14 11.239 2.966 -11.423 1.00 10.70 H new ATOM 0 HB3 ALA A 14 12.996 2.762 -11.230 1.00 10.70 H new ATOM 197 N GLN A 15 13.604 2.350 -14.686 1.00 11.67 N ATOM 198 CA GLN A 15 14.761 2.279 -15.557 1.00 12.40 C ATOM 199 C GLN A 15 15.882 3.239 -15.139 1.00 12.25 C ATOM 200 O GLN A 15 15.681 4.454 -15.069 1.00 12.05 O ATOM 201 CB GLN A 15 14.379 2.537 -17.021 1.00 13.27 C ATOM 202 CG GLN A 15 15.574 2.476 -17.968 1.00 13.75 C ATOM 203 CD GLN A 15 15.253 2.788 -19.418 1.00 14.68 C ATOM 204 OE1 GLN A 15 16.093 3.310 -20.133 1.00 15.07 O ATOM 205 NE2 GLN A 15 14.073 2.461 -19.871 1.00 15.18 N ATOM 0 H GLN A 15 12.935 3.079 -14.934 1.00 11.67 H new ATOM 0 HA GLN A 15 15.142 1.262 -15.460 1.00 12.40 H new ATOM 0 HB2 GLN A 15 13.638 1.801 -17.332 1.00 13.27 H new ATOM 0 HB3 GLN A 15 13.909 3.517 -17.101 1.00 13.27 H new ATOM 0 HG2 GLN A 15 16.332 3.177 -17.619 1.00 13.75 H new ATOM 0 HG3 GLN A 15 16.012 1.479 -17.914 1.00 13.75 H new ATOM 0 HE21 GLN A 15 13.391 2.026 -19.250 1.00 15.18 H new ATOM 0 HE22 GLN A 15 13.833 2.641 -20.846 1.00 15.18 H new ATOM 214 N LYS A 16 17.038 2.646 -14.834 1.00 12.53 N ATOM 215 CA LYS A 16 18.314 3.314 -14.528 1.00 12.66 C ATOM 216 C LYS A 16 19.250 2.279 -13.949 1.00 11.86 C ATOM 217 O LYS A 16 20.317 2.026 -14.478 1.00 12.01 O ATOM 218 CB LYS A 16 18.188 4.528 -13.563 1.00 12.80 C ATOM 219 CG LYS A 16 19.538 5.182 -13.228 1.00 13.55 C ATOM 220 CD LYS A 16 19.396 6.488 -12.433 1.00 14.34 C ATOM 221 CE LYS A 16 18.697 7.578 -13.254 1.00 15.06 C ATOM 222 NZ LYS A 16 18.650 8.878 -12.533 1.00 15.42 N ATOM 0 H LYS A 16 17.118 1.630 -14.790 1.00 12.53 H new ATOM 0 HA LYS A 16 18.698 3.733 -15.458 1.00 12.66 H new ATOM 0 HB2 LYS A 16 17.533 5.274 -14.013 1.00 12.80 H new ATOM 0 HB3 LYS A 16 17.712 4.201 -12.639 1.00 12.80 H new ATOM 0 HG2 LYS A 16 20.143 4.479 -12.655 1.00 13.55 H new ATOM 0 HG3 LYS A 16 20.076 5.384 -14.154 1.00 13.55 H new ATOM 0 HD2 LYS A 16 18.829 6.299 -11.521 1.00 14.34 H new ATOM 0 HD3 LYS A 16 20.382 6.838 -12.129 1.00 14.34 H new ATOM 0 HE2 LYS A 16 19.219 7.708 -14.202 1.00 15.06 H new ATOM 0 HE3 LYS A 16 17.682 7.258 -13.491 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 18.169 9.586 -13.124 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 18.129 8.761 -11.640 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 19.619 9.197 -12.330 1.00 15.42 H new ATOM 236 N SER A 17 18.811 1.661 -12.880 1.00 11.21 N ATOM 237 CA SER A 17 19.557 0.608 -12.207 1.00 10.50 C ATOM 238 C SER A 17 19.068 -0.732 -12.652 1.00 10.66 C ATOM 239 O SER A 17 19.402 -1.732 -12.060 1.00 10.17 O ATOM 240 CB SER A 17 19.387 0.755 -10.708 1.00 10.42 C ATOM 241 OG SER A 17 19.733 2.064 -10.292 1.00 10.72 O ATOM 0 H SER A 17 17.915 1.873 -12.442 1.00 11.21 H new ATOM 0 HA SER A 17 20.614 0.693 -12.461 1.00 10.50 H new ATOM 0 HB2 SER A 17 18.355 0.541 -10.431 1.00 10.42 H new ATOM 0 HB3 SER A 17 20.013 0.027 -10.193 1.00 10.42 H new ATOM 0 HG SER A 17 19.100 2.368 -9.608 1.00 10.72 H new ATOM 247 N ALA A 18 18.290 -0.737 -13.725 1.00 11.52 N ATOM 248 CA ALA A 18 17.704 -1.956 -14.274 1.00 11.99 C ATOM 249 C ALA A 18 16.927 -2.711 -13.202 1.00 11.45 C ATOM 250 O ALA A 18 17.029 -3.923 -13.077 1.00 11.42 O ATOM 251 CB ALA A 18 18.785 -2.827 -14.924 1.00 13.14 C ATOM 0 H ALA A 18 18.045 0.107 -14.243 1.00 11.52 H new ATOM 0 HA ALA A 18 16.993 -1.684 -15.054 1.00 11.99 H new ATOM 0 HB1 ALA A 18 18.330 -3.731 -15.328 1.00 13.14 H new ATOM 0 HB2 ALA A 18 19.264 -2.271 -15.730 1.00 13.14 H new ATOM 0 HB3 ALA A 18 19.531 -3.099 -14.177 1.00 13.14 H new ATOM 257 N MET A 19 16.129 -1.943 -12.450 1.00 11.20 N ATOM 258 CA MET A 19 15.306 -2.457 -11.358 1.00 10.90 C ATOM 259 C MET A 19 16.157 -2.860 -10.127 1.00 9.99 C ATOM 260 O MET A 19 15.613 -3.274 -9.113 1.00 9.63 O ATOM 261 CB MET A 19 14.372 -3.627 -11.853 1.00 11.94 C ATOM 262 CG MET A 19 13.420 -4.223 -10.804 1.00 12.49 C ATOM 263 SD MET A 19 12.329 -5.502 -11.470 1.00 13.40 S ATOM 264 CE MET A 19 13.525 -6.720 -12.038 1.00 14.08 C ATOM 0 H MET A 19 16.038 -0.936 -12.587 1.00 11.20 H new ATOM 0 HA MET A 19 14.658 -1.647 -11.025 1.00 10.90 H new ATOM 0 HB2 MET A 19 13.775 -3.260 -12.688 1.00 11.94 H new ATOM 0 HB3 MET A 19 15.002 -4.428 -12.239 1.00 11.94 H new ATOM 0 HG2 MET A 19 14.008 -4.645 -9.989 1.00 12.49 H new ATOM 0 HG3 MET A 19 12.813 -3.424 -10.379 1.00 12.49 H new ATOM 0 HE1 MET A 19 13.025 -7.677 -12.191 1.00 14.08 H new ATOM 0 HE2 MET A 19 13.966 -6.386 -12.977 1.00 14.08 H new ATOM 0 HE3 MET A 19 14.309 -6.836 -11.290 1.00 14.08 H new ATOM 274 N ALA A 20 17.498 -2.666 -10.181 1.00 9.77 N ATOM 275 CA ALA A 20 18.324 -3.061 -9.038 1.00 9.13 C ATOM 276 C ALA A 20 18.063 -2.168 -7.835 1.00 8.17 C ATOM 277 O ALA A 20 18.051 -2.637 -6.695 1.00 7.84 O ATOM 278 CB ALA A 20 19.806 -3.055 -9.399 1.00 9.45 C ATOM 0 H ALA A 20 18.002 -2.258 -10.968 1.00 9.77 H new ATOM 0 HA ALA A 20 18.045 -4.080 -8.770 1.00 9.13 H new ATOM 0 HB1 ALA A 20 20.393 -3.352 -8.530 1.00 9.45 H new ATOM 0 HB2 ALA A 20 19.985 -3.755 -10.215 1.00 9.45 H new ATOM 0 HB3 ALA A 20 20.101 -2.053 -9.710 1.00 9.45 H new ATOM 284 N ARG A 21 17.831 -0.881 -8.099 1.00 7.98 N ATOM 285 CA ARG A 21 17.600 0.086 -7.016 1.00 7.29 C ATOM 286 C ARG A 21 17.127 1.432 -7.564 1.00 7.26 C ATOM 287 O ARG A 21 17.299 2.469 -6.924 1.00 7.10 O ATOM 288 CB ARG A 21 18.889 0.303 -6.242 1.00 7.43 C ATOM 289 CG ARG A 21 20.032 0.901 -7.052 1.00 8.11 C ATOM 290 CD ARG A 21 21.251 1.105 -6.193 1.00 8.51 C ATOM 291 NE ARG A 21 20.956 1.918 -5.000 1.00 8.99 N ATOM 292 CZ ARG A 21 21.821 2.729 -4.399 1.00 9.65 C ATOM 293 NH1 ARG A 21 23.030 2.888 -4.901 1.00 9.90 N ATOM 294 NH2 ARG A 21 21.458 3.385 -3.303 1.00 10.29 N ATOM 0 H ARG A 21 17.798 -0.485 -9.038 1.00 7.98 H new ATOM 0 HA ARG A 21 16.826 -0.321 -6.365 1.00 7.29 H new ATOM 0 HB2 ARG A 21 18.681 0.958 -5.396 1.00 7.43 H new ATOM 0 HB3 ARG A 21 19.215 -0.653 -5.833 1.00 7.43 H new ATOM 0 HG2 ARG A 21 20.276 0.242 -7.885 1.00 8.11 H new ATOM 0 HG3 ARG A 21 19.720 1.854 -7.480 1.00 8.11 H new ATOM 0 HD2 ARG A 21 21.643 0.136 -5.884 1.00 8.51 H new ATOM 0 HD3 ARG A 21 22.030 1.591 -6.779 1.00 8.51 H new ATOM 0 HE ARG A 21 20.018 1.854 -4.606 1.00 8.99 H new ATOM 0 HH11 ARG A 21 23.300 2.389 -5.749 1.00 9.90 H new ATOM 0 HH12 ARG A 21 23.695 3.510 -4.441 1.00 9.90 H new ATOM 0 HH21 ARG A 21 20.518 3.266 -2.925 1.00 10.29 H new ATOM 0 HH22 ARG A 21 22.119 4.008 -2.839 1.00 10.29 H new ATOM 308 N ALA A 22 16.485 1.405 -8.703 1.00 7.72 N ATOM 309 CA ALA A 22 16.088 2.640 -9.364 1.00 8.05 C ATOM 310 C ALA A 22 14.864 3.274 -8.719 1.00 7.56 C ATOM 311 O ALA A 22 13.741 2.859 -8.980 1.00 7.73 O ATOM 312 CB ALA A 22 15.874 2.423 -10.850 1.00 9.15 C ATOM 0 H ALA A 22 16.223 0.552 -9.197 1.00 7.72 H new ATOM 0 HA ALA A 22 16.911 3.343 -9.239 1.00 8.05 H new ATOM 0 HB1 ALA A 22 15.578 3.363 -11.316 1.00 9.15 H new ATOM 0 HB2 ALA A 22 16.800 2.069 -11.303 1.00 9.15 H new ATOM 0 HB3 ALA A 22 15.090 1.681 -11.000 1.00 9.15 H new ATOM 318 N LYS A 23 15.117 4.242 -7.825 1.00 7.27 N ATOM 319 CA LYS A 23 14.068 5.033 -7.133 1.00 7.12 C ATOM 320 C LYS A 23 13.229 4.251 -6.140 1.00 6.46 C ATOM 321 O LYS A 23 12.388 4.834 -5.465 1.00 6.78 O ATOM 322 CB LYS A 23 13.096 5.710 -8.087 1.00 8.04 C ATOM 323 CG LYS A 23 13.583 6.932 -8.836 1.00 8.77 C ATOM 324 CD LYS A 23 12.404 7.527 -9.596 1.00 9.62 C ATOM 325 CE LYS A 23 12.720 8.839 -10.285 1.00 10.49 C ATOM 326 NZ LYS A 23 11.488 9.419 -10.887 1.00 11.12 N ATOM 0 H LYS A 23 16.064 4.506 -7.554 1.00 7.27 H new ATOM 0 HA LYS A 23 14.663 5.772 -6.596 1.00 7.12 H new ATOM 0 HB2 LYS A 23 12.777 4.971 -8.822 1.00 8.04 H new ATOM 0 HB3 LYS A 23 12.211 5.996 -7.518 1.00 8.04 H new ATOM 0 HG2 LYS A 23 13.996 7.664 -8.142 1.00 8.77 H new ATOM 0 HG3 LYS A 23 14.382 6.661 -9.526 1.00 8.77 H new ATOM 0 HD2 LYS A 23 12.064 6.808 -10.342 1.00 9.62 H new ATOM 0 HD3 LYS A 23 11.577 7.681 -8.903 1.00 9.62 H new ATOM 0 HE2 LYS A 23 13.147 9.540 -9.568 1.00 10.49 H new ATOM 0 HE3 LYS A 23 13.470 8.679 -11.059 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 11.744 10.223 -11.496 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 11.005 8.694 -11.455 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 10.853 9.746 -10.131 1.00 11.12 H new ATOM 340 N ASN A 24 13.430 2.988 -6.046 1.00 5.86 N ATOM 341 CA ASN A 24 12.548 2.198 -5.232 1.00 5.58 C ATOM 342 C ASN A 24 12.879 2.323 -3.755 1.00 5.25 C ATOM 343 O ASN A 24 13.993 2.007 -3.324 1.00 5.71 O ATOM 344 CB ASN A 24 12.565 0.738 -5.663 1.00 5.59 C ATOM 345 CG ASN A 24 11.549 -0.129 -4.924 1.00 6.03 C ATOM 346 OD1 ASN A 24 10.498 0.340 -4.509 1.00 6.46 O ATOM 347 ND2 ASN A 24 11.840 -1.396 -4.773 1.00 6.29 N ATOM 0 H ASN A 24 14.180 2.475 -6.509 1.00 5.86 H new ATOM 0 HA ASN A 24 11.541 2.589 -5.379 1.00 5.58 H new ATOM 0 HB2 ASN A 24 12.368 0.682 -6.734 1.00 5.59 H new ATOM 0 HB3 ASN A 24 13.563 0.332 -5.501 1.00 5.59 H new ATOM 0 HD21 ASN A 24 11.184 -2.017 -4.300 1.00 6.29 H new ATOM 0 HD22 ASN A 24 12.723 -1.762 -5.128 1.00 6.29 H new ATOM 354 N LEU A 25 11.897 2.790 -3.013 1.00 4.87 N ATOM 355 CA LEU A 25 11.947 2.930 -1.549 1.00 4.97 C ATOM 356 C LEU A 25 13.032 3.940 -1.073 1.00 4.70 C ATOM 357 O LEU A 25 13.561 4.750 -1.869 1.00 4.86 O ATOM 358 CB LEU A 25 12.150 1.538 -0.900 1.00 5.36 C ATOM 359 CG LEU A 25 11.076 0.485 -1.229 1.00 6.04 C ATOM 360 CD1 LEU A 25 11.438 -0.847 -0.603 1.00 6.81 C ATOM 361 CD2 LEU A 25 9.702 0.949 -0.750 1.00 6.58 C ATOM 0 H LEU A 25 11.009 3.096 -3.412 1.00 4.87 H new ATOM 0 HA LEU A 25 10.993 3.345 -1.224 1.00 4.97 H new ATOM 0 HB2 LEU A 25 13.120 1.150 -1.211 1.00 5.36 H new ATOM 0 HB3 LEU A 25 12.189 1.664 0.182 1.00 5.36 H new ATOM 0 HG LEU A 25 11.034 0.360 -2.311 1.00 6.04 H new ATOM 0 HD11 LEU A 25 10.670 -1.583 -0.843 1.00 6.81 H new ATOM 0 HD12 LEU A 25 12.398 -1.184 -0.994 1.00 6.81 H new ATOM 0 HD13 LEU A 25 11.506 -0.734 0.479 1.00 6.81 H new ATOM 0 HD21 LEU A 25 8.957 0.191 -0.992 1.00 6.58 H new ATOM 0 HD22 LEU A 25 9.726 1.103 0.329 1.00 6.58 H new ATOM 0 HD23 LEU A 25 9.441 1.885 -1.244 1.00 6.58 H new ATOM 373 N GLU A 26 13.298 3.930 0.228 1.00 4.76 N ATOM 374 CA GLU A 26 14.325 4.768 0.829 1.00 4.96 C ATOM 375 C GLU A 26 15.221 3.944 1.765 1.00 4.83 C ATOM 376 O GLU A 26 16.445 3.985 1.664 1.00 4.95 O ATOM 377 CB GLU A 26 13.730 6.025 1.522 1.00 5.70 C ATOM 378 CG GLU A 26 12.647 5.793 2.581 1.00 6.48 C ATOM 379 CD GLU A 26 12.208 7.108 3.229 1.00 7.27 C ATOM 380 OE1 GLU A 26 11.325 7.790 2.682 1.00 7.70 O ATOM 381 OE2 GLU A 26 12.776 7.483 4.282 1.00 7.68 O ATOM 0 H GLU A 26 12.805 3.338 0.897 1.00 4.76 H new ATOM 0 HA GLU A 26 14.956 5.147 0.026 1.00 4.96 H new ATOM 0 HB2 GLU A 26 14.548 6.572 1.990 1.00 5.70 H new ATOM 0 HB3 GLU A 26 13.314 6.672 0.750 1.00 5.70 H new ATOM 0 HG2 GLU A 26 11.786 5.307 2.122 1.00 6.48 H new ATOM 0 HG3 GLU A 26 13.025 5.116 3.348 1.00 6.48 H new ATOM 388 N LYS A 27 14.615 3.195 2.656 1.00 5.08 N ATOM 389 CA LYS A 27 15.350 2.307 3.551 1.00 5.48 C ATOM 390 C LYS A 27 15.328 0.884 3.027 1.00 5.57 C ATOM 391 O LYS A 27 14.350 0.456 2.423 1.00 6.04 O ATOM 392 CB LYS A 27 14.804 2.358 4.998 1.00 6.20 C ATOM 393 CG LYS A 27 15.267 3.566 5.850 1.00 6.72 C ATOM 394 CD LYS A 27 14.920 4.900 5.233 1.00 7.40 C ATOM 395 CE LYS A 27 15.374 6.046 6.110 1.00 8.14 C ATOM 396 NZ LYS A 27 15.128 7.345 5.457 1.00 8.86 N ATOM 0 H LYS A 27 13.604 3.178 2.787 1.00 5.08 H new ATOM 0 HA LYS A 27 16.381 2.659 3.579 1.00 5.48 H new ATOM 0 HB2 LYS A 27 13.715 2.363 4.955 1.00 6.20 H new ATOM 0 HB3 LYS A 27 15.098 1.442 5.510 1.00 6.20 H new ATOM 0 HG2 LYS A 27 14.811 3.501 6.838 1.00 6.72 H new ATOM 0 HG3 LYS A 27 16.346 3.509 5.992 1.00 6.72 H new ATOM 0 HD2 LYS A 27 15.388 4.982 4.252 1.00 7.40 H new ATOM 0 HD3 LYS A 27 13.843 4.962 5.078 1.00 7.40 H new ATOM 0 HE2 LYS A 27 14.847 6.009 7.063 1.00 8.14 H new ATOM 0 HE3 LYS A 27 16.437 5.941 6.329 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 15.433 8.114 6.087 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 15.664 7.393 4.567 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 14.113 7.445 5.255 1.00 8.86 H new ATOM 410 N ALA A 28 16.414 0.167 3.250 1.00 5.50 N ATOM 411 CA ALA A 28 16.545 -1.223 2.818 1.00 5.97 C ATOM 412 C ALA A 28 16.464 -2.166 4.016 1.00 6.23 C ATOM 413 O ALA A 28 16.605 -3.385 3.884 1.00 6.48 O ATOM 414 CB ALA A 28 17.859 -1.416 2.075 1.00 6.27 C ATOM 0 H ALA A 28 17.235 0.528 3.736 1.00 5.50 H new ATOM 0 HA ALA A 28 15.723 -1.459 2.143 1.00 5.97 H new ATOM 0 HB1 ALA A 28 17.948 -2.455 1.757 1.00 6.27 H new ATOM 0 HB2 ALA A 28 17.882 -0.766 1.201 1.00 6.27 H new ATOM 0 HB3 ALA A 28 18.690 -1.166 2.735 1.00 6.27 H new ATOM 420 N LYS A 29 16.236 -1.590 5.175 1.00 6.51 N ATOM 421 CA LYS A 29 16.102 -2.347 6.392 1.00 7.02 C ATOM 422 C LYS A 29 14.693 -2.888 6.528 1.00 6.93 C ATOM 423 O LYS A 29 13.754 -2.393 5.882 1.00 7.10 O ATOM 424 CB LYS A 29 16.482 -1.508 7.625 1.00 7.79 C ATOM 425 CG LYS A 29 15.793 -0.154 7.687 1.00 8.36 C ATOM 426 CD LYS A 29 16.107 0.606 8.967 1.00 9.07 C ATOM 427 CE LYS A 29 15.489 -0.059 10.200 1.00 9.70 C ATOM 428 NZ LYS A 29 14.010 -0.125 10.099 1.00 10.01 N ATOM 0 H LYS A 29 16.139 -0.582 5.297 1.00 6.51 H new ATOM 0 HA LYS A 29 16.795 -3.186 6.339 1.00 7.02 H new ATOM 0 HB2 LYS A 29 16.236 -2.071 8.525 1.00 7.79 H new ATOM 0 HB3 LYS A 29 17.561 -1.356 7.630 1.00 7.79 H new ATOM 0 HG2 LYS A 29 16.099 0.445 6.829 1.00 8.36 H new ATOM 0 HG3 LYS A 29 14.715 -0.295 7.608 1.00 8.36 H new ATOM 0 HD2 LYS A 29 17.188 0.670 9.094 1.00 9.07 H new ATOM 0 HD3 LYS A 29 15.735 1.627 8.882 1.00 9.07 H new ATOM 0 HE2 LYS A 29 15.892 -1.065 10.312 1.00 9.70 H new ATOM 0 HE3 LYS A 29 15.769 0.498 11.094 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 13.618 -0.503 10.985 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 13.631 0.829 9.932 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 13.743 -0.747 9.309 1.00 10.01 H new ATOM 442 N ALA A 30 14.538 -3.882 7.365 1.00 7.00 N ATOM 443 CA ALA A 30 13.247 -4.492 7.565 1.00 7.22 C ATOM 444 C ALA A 30 12.383 -3.634 8.474 1.00 7.17 C ATOM 445 O ALA A 30 12.689 -3.448 9.658 1.00 7.27 O ATOM 446 CB ALA A 30 13.411 -5.898 8.126 1.00 7.43 C ATOM 0 H ALA A 30 15.291 -4.287 7.921 1.00 7.00 H new ATOM 0 HA ALA A 30 12.742 -4.567 6.602 1.00 7.22 H new ATOM 0 HB1 ALA A 30 12.429 -6.348 8.273 1.00 7.43 H new ATOM 0 HB2 ALA A 30 13.987 -6.504 7.427 1.00 7.43 H new ATOM 0 HB3 ALA A 30 13.934 -5.850 9.081 1.00 7.43 H new ATOM 452 N ALA A 31 11.341 -3.077 7.908 1.00 7.30 N ATOM 453 CA ALA A 31 10.379 -2.300 8.654 1.00 7.49 C ATOM 454 C ALA A 31 9.168 -3.168 8.934 1.00 7.26 C ATOM 455 O ALA A 31 8.740 -3.944 8.070 1.00 7.29 O ATOM 456 CB ALA A 31 9.963 -1.070 7.861 1.00 8.16 C ATOM 0 H ALA A 31 11.134 -3.150 6.912 1.00 7.30 H new ATOM 0 HA ALA A 31 10.825 -1.968 9.591 1.00 7.49 H new ATOM 0 HB1 ALA A 31 9.238 -0.494 8.436 1.00 8.16 H new ATOM 0 HB2 ALA A 31 10.839 -0.453 7.660 1.00 8.16 H new ATOM 0 HB3 ALA A 31 9.514 -1.380 6.917 1.00 8.16 H new ATOM 462 N GLY A 32 8.603 -3.041 10.115 1.00 7.31 N ATOM 463 CA GLY A 32 7.442 -3.849 10.478 1.00 7.37 C ATOM 464 C GLY A 32 6.155 -3.245 9.968 1.00 7.39 C ATOM 465 O GLY A 32 5.204 -3.071 10.733 1.00 7.69 O ATOM 0 H GLY A 32 8.919 -2.395 10.839 1.00 7.31 H new ATOM 0 HA2 GLY A 32 7.558 -4.854 10.072 1.00 7.37 H new ATOM 0 HA3 GLY A 32 7.392 -3.947 11.562 1.00 7.37 H new ATOM 469 N LYS A 33 6.145 -2.893 8.671 1.00 7.33 N ATOM 470 CA LYS A 33 4.999 -2.278 7.982 1.00 7.58 C ATOM 471 C LYS A 33 4.756 -0.803 8.404 1.00 7.81 C ATOM 472 O LYS A 33 4.045 -0.066 7.722 1.00 8.09 O ATOM 473 CB LYS A 33 3.711 -3.141 8.086 1.00 7.70 C ATOM 474 CG LYS A 33 3.785 -4.497 7.352 1.00 7.71 C ATOM 475 CD LYS A 33 3.976 -4.303 5.843 1.00 8.10 C ATOM 476 CE LYS A 33 3.939 -5.629 5.068 1.00 8.68 C ATOM 477 NZ LYS A 33 5.041 -6.556 5.426 1.00 8.86 N ATOM 0 H LYS A 33 6.950 -3.031 8.060 1.00 7.33 H new ATOM 0 HA LYS A 33 5.269 -2.247 6.927 1.00 7.58 H new ATOM 0 HB2 LYS A 33 3.496 -3.324 9.139 1.00 7.70 H new ATOM 0 HB3 LYS A 33 2.874 -2.570 7.684 1.00 7.70 H new ATOM 0 HG2 LYS A 33 4.610 -5.085 7.753 1.00 7.71 H new ATOM 0 HG3 LYS A 33 2.872 -5.063 7.536 1.00 7.71 H new ATOM 0 HD2 LYS A 33 3.196 -3.643 5.464 1.00 8.10 H new ATOM 0 HD3 LYS A 33 4.930 -3.807 5.662 1.00 8.10 H new ATOM 0 HE2 LYS A 33 2.985 -6.123 5.254 1.00 8.68 H new ATOM 0 HE3 LYS A 33 3.986 -5.418 4.000 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 4.956 -7.429 4.867 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 5.955 -6.103 5.224 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 4.986 -6.786 6.439 1.00 8.86 H new ATOM 491 N GLY A 34 5.369 -0.401 9.503 1.00 7.92 N ATOM 492 CA GLY A 34 5.258 0.942 10.012 1.00 8.28 C ATOM 493 C GLY A 34 5.697 1.001 11.465 1.00 8.23 C ATOM 494 O GLY A 34 4.912 0.704 12.365 1.00 8.16 O ATOM 0 H GLY A 34 5.962 -1.009 10.068 1.00 7.92 H new ATOM 0 HA2 GLY A 34 5.872 1.615 9.413 1.00 8.28 H new ATOM 0 HA3 GLY A 34 4.228 1.286 9.924 1.00 8.28 H new ATOM 498 N SER A 35 6.945 1.361 11.696 1.00 8.52 N ATOM 499 CA SER A 35 7.496 1.372 13.057 1.00 8.67 C ATOM 500 C SER A 35 7.260 2.709 13.789 1.00 8.96 C ATOM 501 O SER A 35 6.952 2.730 14.980 1.00 9.53 O ATOM 502 CB SER A 35 8.976 0.980 13.039 1.00 8.87 C ATOM 503 OG SER A 35 9.134 -0.332 12.479 1.00 8.86 O ATOM 0 H SER A 35 7.601 1.650 10.970 1.00 8.52 H new ATOM 0 HA SER A 35 6.952 0.623 13.633 1.00 8.67 H new ATOM 0 HB2 SER A 35 9.544 1.704 12.455 1.00 8.87 H new ATOM 0 HB3 SER A 35 9.378 1.002 14.052 1.00 8.87 H new ATOM 0 HG SER A 35 10.084 -0.572 12.471 1.00 8.86 H new ATOM 509 N GLN A 36 7.402 3.819 13.075 1.00 8.75 N ATOM 510 CA GLN A 36 7.172 5.142 13.657 1.00 9.17 C ATOM 511 C GLN A 36 6.905 6.149 12.550 1.00 8.70 C ATOM 512 O GLN A 36 5.778 6.392 12.191 1.00 8.58 O ATOM 513 CB GLN A 36 8.346 5.597 14.558 1.00 10.09 C ATOM 514 CG GLN A 36 8.142 6.961 15.223 1.00 10.66 C ATOM 515 CD GLN A 36 9.307 7.366 16.100 1.00 11.45 C ATOM 516 OE1 GLN A 36 10.250 8.004 15.644 1.00 11.91 O ATOM 517 NE2 GLN A 36 9.251 6.997 17.355 1.00 11.81 N ATOM 0 H GLN A 36 7.675 3.833 12.092 1.00 8.75 H new ATOM 0 HA GLN A 36 6.295 5.080 14.302 1.00 9.17 H new ATOM 0 HB2 GLN A 36 8.504 4.848 15.334 1.00 10.09 H new ATOM 0 HB3 GLN A 36 9.256 5.631 13.959 1.00 10.09 H new ATOM 0 HG2 GLN A 36 7.993 7.717 14.452 1.00 10.66 H new ATOM 0 HG3 GLN A 36 7.233 6.935 15.824 1.00 10.66 H new ATOM 0 HE21 GLN A 36 8.449 6.467 17.695 1.00 11.81 H new ATOM 0 HE22 GLN A 36 10.010 7.240 17.992 1.00 11.81 H new ATOM 526 N LEU A 37 7.965 6.707 11.994 1.00 8.63 N ATOM 527 CA LEU A 37 7.835 7.599 10.851 1.00 8.33 C ATOM 528 C LEU A 37 8.230 6.811 9.608 1.00 7.59 C ATOM 529 O LEU A 37 7.987 7.217 8.479 1.00 7.53 O ATOM 530 CB LEU A 37 8.730 8.853 11.034 1.00 8.94 C ATOM 531 CG LEU A 37 8.609 9.954 9.968 1.00 9.62 C ATOM 532 CD1 LEU A 37 7.184 10.498 9.920 1.00 10.08 C ATOM 533 CD2 LEU A 37 9.597 11.086 10.243 1.00 9.94 C ATOM 0 H LEU A 37 8.923 6.561 12.312 1.00 8.63 H new ATOM 0 HA LEU A 37 6.809 7.955 10.754 1.00 8.33 H new ATOM 0 HB2 LEU A 37 8.502 9.294 12.005 1.00 8.94 H new ATOM 0 HB3 LEU A 37 9.769 8.526 11.068 1.00 8.94 H new ATOM 0 HG LEU A 37 8.849 9.515 8.999 1.00 9.62 H new ATOM 0 HD11 LEU A 37 7.117 11.276 9.160 1.00 10.08 H new ATOM 0 HD12 LEU A 37 6.494 9.690 9.674 1.00 10.08 H new ATOM 0 HD13 LEU A 37 6.921 10.916 10.892 1.00 10.08 H new ATOM 0 HD21 LEU A 37 9.493 11.854 9.476 1.00 9.94 H new ATOM 0 HD22 LEU A 37 9.390 11.520 11.221 1.00 9.94 H new ATOM 0 HD23 LEU A 37 10.614 10.693 10.228 1.00 9.94 H new ATOM 545 N GLU A 38 8.820 5.667 9.862 1.00 7.28 N ATOM 546 CA GLU A 38 9.246 4.753 8.833 1.00 6.85 C ATOM 547 C GLU A 38 8.067 3.876 8.423 1.00 6.29 C ATOM 548 O GLU A 38 7.670 2.961 9.168 1.00 6.53 O ATOM 549 CB GLU A 38 10.403 3.885 9.367 1.00 7.02 C ATOM 550 CG GLU A 38 10.937 2.841 8.398 1.00 7.23 C ATOM 551 CD GLU A 38 12.003 1.968 9.040 1.00 7.58 C ATOM 552 OE1 GLU A 38 11.648 1.025 9.775 1.00 7.82 O ATOM 553 OE2 GLU A 38 13.204 2.208 8.835 1.00 7.86 O ATOM 0 H GLU A 38 9.020 5.341 10.807 1.00 7.28 H new ATOM 0 HA GLU A 38 9.596 5.307 7.962 1.00 6.85 H new ATOM 0 HB2 GLU A 38 11.224 4.542 9.656 1.00 7.02 H new ATOM 0 HB3 GLU A 38 10.067 3.378 10.272 1.00 7.02 H new ATOM 0 HG2 GLU A 38 10.116 2.215 8.049 1.00 7.23 H new ATOM 0 HG3 GLU A 38 11.353 3.338 7.522 1.00 7.23 H new ATOM 560 N ALA A 39 7.485 4.200 7.278 1.00 5.86 N ATOM 561 CA ALA A 39 6.372 3.484 6.716 1.00 5.57 C ATOM 562 C ALA A 39 6.226 3.870 5.254 1.00 5.31 C ATOM 563 O ALA A 39 6.579 4.973 4.877 1.00 5.56 O ATOM 564 CB ALA A 39 5.086 3.811 7.471 1.00 5.92 C ATOM 0 H ALA A 39 7.788 4.989 6.707 1.00 5.86 H new ATOM 0 HA ALA A 39 6.554 2.413 6.801 1.00 5.57 H new ATOM 0 HB1 ALA A 39 4.255 3.259 7.031 1.00 5.92 H new ATOM 0 HB2 ALA A 39 5.196 3.527 8.517 1.00 5.92 H new ATOM 0 HB3 ALA A 39 4.887 4.881 7.405 1.00 5.92 H new ATOM 570 N ASN A 40 5.735 2.962 4.438 1.00 5.21 N ATOM 571 CA ASN A 40 5.508 3.248 3.012 1.00 5.30 C ATOM 572 C ASN A 40 4.017 3.523 2.795 1.00 4.90 C ATOM 573 O ASN A 40 3.569 3.945 1.728 1.00 4.87 O ATOM 574 CB ASN A 40 5.970 2.042 2.157 1.00 5.95 C ATOM 575 CG ASN A 40 5.831 2.262 0.644 1.00 6.36 C ATOM 576 OD1 ASN A 40 5.942 3.371 0.160 1.00 6.54 O ATOM 577 ND2 ASN A 40 5.599 1.192 -0.100 1.00 6.88 N ATOM 0 H ASN A 40 5.481 2.016 4.724 1.00 5.21 H new ATOM 0 HA ASN A 40 6.083 4.123 2.709 1.00 5.30 H new ATOM 0 HB2 ASN A 40 7.013 1.824 2.388 1.00 5.95 H new ATOM 0 HB3 ASN A 40 5.390 1.164 2.441 1.00 5.95 H new ATOM 0 HD21 ASN A 40 5.508 1.284 -1.112 1.00 6.88 H new ATOM 0 HD22 ASN A 40 5.511 0.275 0.338 1.00 6.88 H new ATOM 584 N LYS A 41 3.264 3.321 3.838 1.00 4.91 N ATOM 585 CA LYS A 41 1.861 3.480 3.789 1.00 4.79 C ATOM 586 C LYS A 41 1.423 4.582 4.722 1.00 5.11 C ATOM 587 O LYS A 41 1.150 4.369 5.902 1.00 5.52 O ATOM 588 CB LYS A 41 1.132 2.146 4.032 1.00 5.30 C ATOM 589 CG LYS A 41 1.579 1.401 5.290 1.00 6.03 C ATOM 590 CD LYS A 41 0.851 0.074 5.446 1.00 6.55 C ATOM 591 CE LYS A 41 -0.637 0.286 5.585 1.00 7.33 C ATOM 592 NZ LYS A 41 -1.357 -0.983 5.728 1.00 7.95 N ATOM 0 H LYS A 41 3.622 3.039 4.750 1.00 4.91 H new ATOM 0 HA LYS A 41 1.577 3.789 2.783 1.00 4.79 H new ATOM 0 HB2 LYS A 41 0.061 2.338 4.100 1.00 5.30 H new ATOM 0 HB3 LYS A 41 1.286 1.500 3.168 1.00 5.30 H new ATOM 0 HG2 LYS A 41 2.654 1.224 5.246 1.00 6.03 H new ATOM 0 HG3 LYS A 41 1.394 2.023 6.166 1.00 6.03 H new ATOM 0 HD2 LYS A 41 1.053 -0.559 4.582 1.00 6.55 H new ATOM 0 HD3 LYS A 41 1.230 -0.452 6.322 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -0.835 0.916 6.452 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -1.011 0.820 4.711 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -2.367 -0.793 5.889 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -1.244 -1.546 4.861 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -0.971 -1.512 6.536 1.00 7.95 H new ATOM 606 N LYS A 42 1.421 5.765 4.184 1.00 5.29 N ATOM 607 CA LYS A 42 1.073 6.945 4.921 1.00 6.01 C ATOM 608 C LYS A 42 -0.429 7.057 5.068 1.00 6.11 C ATOM 609 O LYS A 42 -1.190 6.512 4.246 1.00 6.74 O ATOM 610 CB LYS A 42 1.642 8.227 4.248 1.00 6.24 C ATOM 611 CG LYS A 42 1.041 8.630 2.860 1.00 6.53 C ATOM 612 CD LYS A 42 1.325 7.629 1.741 1.00 7.13 C ATOM 613 CE LYS A 42 0.717 8.077 0.407 1.00 7.68 C ATOM 614 NZ LYS A 42 1.298 9.351 -0.096 1.00 8.17 N ATOM 0 H LYS A 42 1.664 5.941 3.209 1.00 5.29 H new ATOM 0 HA LYS A 42 1.521 6.857 5.911 1.00 6.01 H new ATOM 0 HB2 LYS A 42 1.498 9.062 4.934 1.00 6.24 H new ATOM 0 HB3 LYS A 42 2.717 8.096 4.126 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -0.038 8.746 2.964 1.00 6.53 H new ATOM 0 HG3 LYS A 42 1.440 9.603 2.572 1.00 6.53 H new ATOM 0 HD2 LYS A 42 2.402 7.508 1.627 1.00 7.13 H new ATOM 0 HD3 LYS A 42 0.922 6.654 2.015 1.00 7.13 H new ATOM 0 HE2 LYS A 42 0.870 7.295 -0.337 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -0.360 8.197 0.526 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 0.964 9.526 -1.065 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 1.001 10.135 0.519 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 2.336 9.284 -0.094 1.00 8.17 H new ATOM 628 N ALA A 43 -0.853 7.732 6.146 1.00 5.71 N ATOM 629 CA ALA A 43 -2.274 8.009 6.457 1.00 5.93 C ATOM 630 C ALA A 43 -3.074 6.739 6.744 1.00 5.58 C ATOM 631 O ALA A 43 -4.307 6.779 6.772 1.00 5.78 O ATOM 632 CB ALA A 43 -2.926 8.847 5.351 1.00 5.86 C ATOM 0 H ALA A 43 -0.211 8.110 6.843 1.00 5.71 H new ATOM 0 HA ALA A 43 -2.287 8.593 7.377 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -3.969 9.036 5.605 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -2.398 9.796 5.255 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -2.875 8.306 4.406 1.00 5.86 H new ATOM 638 N MET A 44 -2.357 5.612 6.969 1.00 5.27 N ATOM 639 CA MET A 44 -2.971 4.296 7.289 1.00 5.14 C ATOM 640 C MET A 44 -3.716 3.714 6.099 1.00 4.41 C ATOM 641 O MET A 44 -4.447 2.710 6.236 1.00 4.57 O ATOM 642 CB MET A 44 -3.877 4.355 8.539 1.00 5.83 C ATOM 643 CG MET A 44 -3.148 4.726 9.815 1.00 6.40 C ATOM 644 SD MET A 44 -1.831 3.564 10.209 1.00 6.97 S ATOM 645 CE MET A 44 -1.178 4.306 11.702 1.00 7.62 C ATOM 0 H MET A 44 -1.338 5.587 6.934 1.00 5.27 H new ATOM 0 HA MET A 44 -2.146 3.624 7.524 1.00 5.14 H new ATOM 0 HB2 MET A 44 -4.672 5.079 8.364 1.00 5.83 H new ATOM 0 HB3 MET A 44 -4.354 3.384 8.675 1.00 5.83 H new ATOM 0 HG2 MET A 44 -2.729 5.727 9.714 1.00 6.40 H new ATOM 0 HG3 MET A 44 -3.859 4.760 10.641 1.00 6.40 H new ATOM 0 HE1 MET A 44 -0.350 3.703 12.076 1.00 7.62 H new ATOM 0 HE2 MET A 44 -0.824 5.313 11.483 1.00 7.62 H new ATOM 0 HE3 MET A 44 -1.962 4.354 12.458 1.00 7.62 H new ATOM 655 N SER A 45 -3.488 4.313 4.931 1.00 3.91 N ATOM 656 CA SER A 45 -4.023 3.879 3.662 1.00 3.31 C ATOM 657 C SER A 45 -5.539 3.534 3.630 1.00 3.15 C ATOM 658 O SER A 45 -6.389 4.421 3.519 1.00 3.30 O ATOM 659 CB SER A 45 -3.137 2.791 3.044 1.00 3.27 C ATOM 660 OG SER A 45 -2.809 1.757 3.960 1.00 3.82 O ATOM 0 H SER A 45 -2.902 5.144 4.851 1.00 3.91 H new ATOM 0 HA SER A 45 -3.986 4.762 3.025 1.00 3.31 H new ATOM 0 HB2 SER A 45 -3.648 2.358 2.184 1.00 3.27 H new ATOM 0 HB3 SER A 45 -2.218 3.245 2.673 1.00 3.27 H new ATOM 0 HG SER A 45 -2.951 0.886 3.534 1.00 3.82 H new ATOM 666 N ILE A 46 -5.849 2.262 3.722 1.00 3.06 N ATOM 667 CA ILE A 46 -7.220 1.775 3.698 1.00 2.90 C ATOM 668 C ILE A 46 -7.490 1.040 5.007 1.00 3.39 C ATOM 669 O ILE A 46 -6.569 0.464 5.587 1.00 3.76 O ATOM 670 CB ILE A 46 -7.434 0.806 2.485 1.00 2.48 C ATOM 671 CG1 ILE A 46 -7.103 1.526 1.161 1.00 2.40 C ATOM 672 CG2 ILE A 46 -8.866 0.250 2.448 1.00 2.38 C ATOM 673 CD1 ILE A 46 -7.228 0.660 -0.070 1.00 2.53 C ATOM 0 H ILE A 46 -5.153 1.523 3.817 1.00 3.06 H new ATOM 0 HA ILE A 46 -7.908 2.613 3.588 1.00 2.90 H new ATOM 0 HB ILE A 46 -6.756 -0.038 2.611 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -7.765 2.386 1.054 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -6.085 1.912 1.216 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -8.975 -0.417 1.593 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -9.066 -0.301 3.367 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -9.574 1.074 2.358 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -6.977 1.246 -0.954 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -6.546 -0.186 0.010 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -8.251 0.294 -0.155 1.00 2.53 H new ATOM 685 N GLN A 47 -8.724 1.048 5.477 1.00 3.62 N ATOM 686 CA GLN A 47 -9.052 0.418 6.747 1.00 4.26 C ATOM 687 C GLN A 47 -10.084 -0.702 6.496 1.00 4.05 C ATOM 688 O GLN A 47 -10.977 -0.559 5.670 1.00 3.59 O ATOM 689 CB GLN A 47 -9.632 1.469 7.709 1.00 4.89 C ATOM 690 CG GLN A 47 -9.137 1.365 9.163 1.00 5.73 C ATOM 691 CD GLN A 47 -7.674 1.847 9.370 1.00 6.34 C ATOM 692 OE1 GLN A 47 -7.327 2.327 10.442 1.00 6.66 O ATOM 693 NE2 GLN A 47 -6.831 1.738 8.364 1.00 6.79 N ATOM 0 H GLN A 47 -9.515 1.482 5.001 1.00 3.62 H new ATOM 0 HA GLN A 47 -8.155 -0.009 7.195 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -9.389 2.461 7.329 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -10.719 1.383 7.704 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -9.796 1.952 9.803 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -9.216 0.328 9.490 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -7.141 1.335 7.480 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -5.868 2.057 8.469 1.00 6.79 H new ATOM 702 N CYS A 48 -9.934 -1.799 7.203 1.00 4.51 N ATOM 703 CA CYS A 48 -10.792 -2.968 7.037 1.00 4.51 C ATOM 704 C CYS A 48 -12.154 -2.799 7.748 1.00 4.78 C ATOM 705 O CYS A 48 -12.235 -2.197 8.817 1.00 5.43 O ATOM 706 CB CYS A 48 -10.087 -4.204 7.583 1.00 5.18 C ATOM 707 SG CYS A 48 -10.895 -5.758 7.161 1.00 5.33 S ATOM 0 H CYS A 48 -9.212 -1.914 7.915 1.00 4.51 H new ATOM 0 HA CYS A 48 -10.986 -3.082 5.970 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -9.065 -4.223 7.204 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -10.023 -4.123 8.668 1.00 5.18 H new ATOM 0 HG CYS A 48 -11.755 -5.555 6.208 1.00 5.33 H new ATOM 713 N LYS A 49 -13.194 -3.413 7.148 1.00 4.37 N ATOM 714 CA LYS A 49 -14.593 -3.350 7.614 1.00 4.60 C ATOM 715 C LYS A 49 -14.742 -4.003 8.978 1.00 5.45 C ATOM 716 O LYS A 49 -15.369 -3.453 9.873 1.00 5.91 O ATOM 717 CB LYS A 49 -15.469 -4.100 6.556 1.00 4.03 C ATOM 718 CG LYS A 49 -17.016 -4.048 6.714 1.00 4.13 C ATOM 719 CD LYS A 49 -17.578 -4.833 7.925 1.00 4.80 C ATOM 720 CE LYS A 49 -17.276 -6.340 7.869 1.00 5.08 C ATOM 721 NZ LYS A 49 -17.944 -7.021 6.728 1.00 5.64 N ATOM 0 H LYS A 49 -13.081 -3.979 6.307 1.00 4.37 H new ATOM 0 HA LYS A 49 -14.909 -2.312 7.717 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -15.221 -3.699 5.573 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -15.169 -5.148 6.558 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -17.322 -3.006 6.802 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -17.472 -4.438 5.804 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -17.159 -4.420 8.843 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -18.657 -4.688 7.974 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -16.199 -6.487 7.793 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -17.597 -6.805 8.801 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -18.165 -8.003 6.991 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -18.824 -6.520 6.492 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -17.311 -7.017 5.903 1.00 5.64 H new ATOM 735 N VAL A 50 -14.151 -5.181 9.108 1.00 5.76 N ATOM 736 CA VAL A 50 -14.300 -6.039 10.299 1.00 6.62 C ATOM 737 C VAL A 50 -14.024 -5.312 11.635 1.00 7.31 C ATOM 738 O VAL A 50 -14.641 -5.617 12.656 1.00 7.94 O ATOM 739 CB VAL A 50 -13.404 -7.298 10.181 1.00 6.99 C ATOM 740 CG1 VAL A 50 -11.959 -6.916 10.055 1.00 6.73 C ATOM 741 CG2 VAL A 50 -13.615 -8.256 11.348 1.00 7.56 C ATOM 0 H VAL A 50 -13.547 -5.582 8.390 1.00 5.76 H new ATOM 0 HA VAL A 50 -15.350 -6.332 10.322 1.00 6.62 H new ATOM 0 HB VAL A 50 -13.700 -7.824 9.273 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -11.350 -7.817 9.974 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -11.821 -6.303 9.164 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -11.654 -6.350 10.935 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -12.968 -9.125 11.227 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -13.372 -7.750 12.282 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -14.656 -8.579 11.370 1.00 7.56 H new ATOM 751 N CYS A 51 -13.132 -4.367 11.620 1.00 7.22 N ATOM 752 CA CYS A 51 -12.778 -3.675 12.821 1.00 7.91 C ATOM 753 C CYS A 51 -12.151 -2.342 12.485 1.00 7.66 C ATOM 754 O CYS A 51 -12.805 -1.315 12.590 1.00 7.62 O ATOM 755 CB CYS A 51 -11.853 -4.546 13.705 1.00 8.65 C ATOM 756 SG CYS A 51 -11.281 -3.772 15.232 1.00 9.28 S ATOM 0 H CYS A 51 -12.635 -4.057 10.785 1.00 7.22 H new ATOM 0 HA CYS A 51 -13.681 -3.481 13.400 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -12.383 -5.464 13.960 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -10.982 -4.834 13.116 1.00 8.65 H new ATOM 0 HG CYS A 51 -10.519 -4.602 15.880 1.00 9.28 H new ATOM 762 N MET A 52 -10.899 -2.366 12.009 1.00 7.53 N ATOM 763 CA MET A 52 -10.157 -1.105 11.721 1.00 7.36 C ATOM 764 C MET A 52 -8.746 -1.452 11.283 1.00 7.19 C ATOM 765 O MET A 52 -7.788 -0.797 11.647 1.00 7.51 O ATOM 766 CB MET A 52 -10.046 -0.263 13.006 1.00 8.14 C ATOM 767 CG MET A 52 -9.700 1.204 12.744 1.00 8.25 C ATOM 768 SD MET A 52 -9.607 2.216 14.242 1.00 9.18 S ATOM 769 CE MET A 52 -8.310 1.390 15.155 1.00 9.44 C ATOM 0 H MET A 52 -10.377 -3.220 11.814 1.00 7.53 H new ATOM 0 HA MET A 52 -10.686 -0.551 10.946 1.00 7.36 H new ATOM 0 HB2 MET A 52 -10.990 -0.315 13.548 1.00 8.14 H new ATOM 0 HB3 MET A 52 -9.284 -0.698 13.652 1.00 8.14 H new ATOM 0 HG2 MET A 52 -8.743 1.254 12.224 1.00 8.25 H new ATOM 0 HG3 MET A 52 -10.449 1.630 12.076 1.00 8.25 H new ATOM 0 HE1 MET A 52 -7.949 2.045 15.947 1.00 9.44 H new ATOM 0 HE2 MET A 52 -8.702 0.472 15.594 1.00 9.44 H new ATOM 0 HE3 MET A 52 -7.488 1.148 14.481 1.00 9.44 H new ATOM 779 N GLN A 53 -8.614 -2.474 10.485 1.00 6.77 N ATOM 780 CA GLN A 53 -7.271 -2.931 10.117 1.00 6.78 C ATOM 781 C GLN A 53 -6.862 -2.194 8.888 1.00 5.99 C ATOM 782 O GLN A 53 -7.592 -1.363 8.441 1.00 5.51 O ATOM 783 CB GLN A 53 -7.277 -4.432 9.907 1.00 7.00 C ATOM 784 CG GLN A 53 -7.990 -5.157 11.032 1.00 7.73 C ATOM 785 CD GLN A 53 -7.437 -4.852 12.432 1.00 8.54 C ATOM 786 OE1 GLN A 53 -6.554 -5.530 12.919 1.00 9.11 O ATOM 787 NE2 GLN A 53 -7.986 -3.820 13.069 1.00 8.65 N ATOM 0 H GLN A 53 -9.385 -3.004 10.078 1.00 6.77 H new ATOM 0 HA GLN A 53 -6.552 -2.726 10.910 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -7.763 -4.664 8.960 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -6.251 -4.793 9.835 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -9.047 -4.893 11.006 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -7.926 -6.231 10.855 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -8.725 -3.279 12.621 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -7.667 -3.571 14.005 1.00 8.65 H new ATOM 796 N THR A 54 -5.741 -2.478 8.326 1.00 5.92 N ATOM 797 CA THR A 54 -5.331 -1.674 7.208 1.00 5.23 C ATOM 798 C THR A 54 -4.839 -2.491 6.020 1.00 5.04 C ATOM 799 O THR A 54 -4.311 -3.599 6.163 1.00 5.63 O ATOM 800 CB THR A 54 -4.280 -0.616 7.628 1.00 5.45 C ATOM 801 OG1 THR A 54 -3.809 0.128 6.491 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.115 -1.287 8.266 1.00 5.93 C ATOM 0 H THR A 54 -5.106 -3.228 8.600 1.00 5.92 H new ATOM 0 HA THR A 54 -6.229 -1.156 6.870 1.00 5.23 H new ATOM 0 HB THR A 54 -4.759 0.067 8.330 1.00 5.45 H new ATOM 0 HG1 THR A 54 -4.007 1.079 6.618 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.379 -0.538 8.559 1.00 5.93 H new ATOM 0 HG22 THR A 54 -3.448 -1.833 9.148 1.00 5.93 H new ATOM 0 HG23 THR A 54 -2.663 -1.982 7.558 1.00 5.93 H new ATOM 810 N PHE A 55 -5.007 -1.896 4.847 1.00 4.34 N ATOM 811 CA PHE A 55 -4.594 -2.455 3.601 1.00 4.27 C ATOM 812 C PHE A 55 -3.925 -1.354 2.843 1.00 3.93 C ATOM 813 O PHE A 55 -4.189 -0.197 3.120 1.00 3.54 O ATOM 814 CB PHE A 55 -5.786 -2.970 2.798 1.00 3.91 C ATOM 815 CG PHE A 55 -6.533 -4.107 3.443 1.00 4.29 C ATOM 816 CD1 PHE A 55 -6.098 -5.419 3.311 1.00 4.24 C ATOM 817 CD2 PHE A 55 -7.673 -3.853 4.191 1.00 4.83 C ATOM 818 CE1 PHE A 55 -6.800 -6.451 3.906 1.00 4.63 C ATOM 819 CE2 PHE A 55 -8.375 -4.880 4.786 1.00 5.27 C ATOM 820 CZ PHE A 55 -7.886 -6.228 4.623 1.00 5.13 C ATOM 0 H PHE A 55 -5.450 -0.982 4.751 1.00 4.34 H new ATOM 0 HA PHE A 55 -3.928 -3.301 3.772 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -6.479 -2.145 2.632 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -5.435 -3.293 1.818 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -5.207 -5.635 2.741 1.00 4.24 H new ATOM 0 HD2 PHE A 55 -8.016 -2.836 4.309 1.00 4.83 H new ATOM 0 HE1 PHE A 55 -6.451 -7.465 3.781 1.00 4.63 H new ATOM 0 HE2 PHE A 55 -9.268 -4.681 5.359 1.00 5.27 H new ATOM 0 HZ PHE A 55 -8.407 -7.053 5.086 1.00 5.13 H new ATOM 830 N ILE A 56 -3.077 -1.699 1.923 1.00 4.24 N ATOM 831 CA ILE A 56 -2.305 -0.720 1.163 1.00 4.10 C ATOM 832 C ILE A 56 -3.184 0.064 0.183 1.00 3.68 C ATOM 833 O ILE A 56 -4.049 -0.498 -0.480 1.00 3.75 O ATOM 834 CB ILE A 56 -1.150 -1.428 0.398 1.00 4.78 C ATOM 835 CG1 ILE A 56 -0.246 -0.450 -0.389 1.00 4.73 C ATOM 836 CG2 ILE A 56 -1.668 -2.561 -0.505 1.00 5.23 C ATOM 837 CD1 ILE A 56 0.513 0.534 0.487 1.00 4.53 C ATOM 0 H ILE A 56 -2.888 -2.668 1.665 1.00 4.24 H new ATOM 0 HA ILE A 56 -1.887 -0.007 1.873 1.00 4.10 H new ATOM 0 HB ILE A 56 -0.520 -1.875 1.167 1.00 4.78 H new ATOM 0 HG12 ILE A 56 0.470 -1.026 -0.975 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -0.861 0.108 -1.095 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -0.829 -3.028 -1.020 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -2.180 -3.306 0.104 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -2.363 -2.153 -1.239 1.00 5.23 H new ATOM 0 HD11 ILE A 56 1.123 1.184 -0.140 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -0.195 1.138 1.054 1.00 4.53 H new ATOM 0 HD13 ILE A 56 1.156 -0.013 1.176 1.00 4.53 H new ATOM 849 N CYS A 57 -2.952 1.354 0.095 1.00 3.44 N ATOM 850 CA CYS A 57 -3.682 2.174 -0.802 1.00 3.38 C ATOM 851 C CYS A 57 -3.048 2.177 -2.179 1.00 3.93 C ATOM 852 O CYS A 57 -2.331 3.106 -2.558 1.00 4.21 O ATOM 853 CB CYS A 57 -3.861 3.596 -0.261 1.00 3.28 C ATOM 854 SG CYS A 57 -2.306 4.412 0.197 1.00 4.03 S ATOM 0 H CYS A 57 -2.252 1.848 0.647 1.00 3.44 H new ATOM 0 HA CYS A 57 -4.679 1.744 -0.897 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -4.368 4.199 -1.014 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -4.513 3.562 0.612 1.00 3.28 H new ATOM 0 HG CYS A 57 -1.441 4.267 -0.762 1.00 4.03 H new ATOM 860 N THR A 58 -3.224 1.075 -2.885 1.00 4.31 N ATOM 861 CA THR A 58 -2.796 0.993 -4.273 1.00 5.03 C ATOM 862 C THR A 58 -3.707 1.867 -5.156 1.00 5.13 C ATOM 863 O THR A 58 -3.385 2.192 -6.301 1.00 5.79 O ATOM 864 CB THR A 58 -2.795 -0.463 -4.764 1.00 5.61 C ATOM 865 OG1 THR A 58 -4.040 -1.079 -4.416 1.00 6.01 O ATOM 866 CG2 THR A 58 -1.644 -1.239 -4.152 1.00 5.89 C ATOM 0 H THR A 58 -3.659 0.226 -2.523 1.00 4.31 H new ATOM 0 HA THR A 58 -1.775 1.367 -4.344 1.00 5.03 H new ATOM 0 HB THR A 58 -2.670 -0.470 -5.847 1.00 5.61 H new ATOM 0 HG1 THR A 58 -4.044 -2.008 -4.729 1.00 6.01 H new ATOM 0 HG21 THR A 58 -1.664 -2.267 -4.515 1.00 5.89 H new ATOM 0 HG22 THR A 58 -0.700 -0.773 -4.435 1.00 5.89 H new ATOM 0 HG23 THR A 58 -1.739 -1.235 -3.066 1.00 5.89 H new ATOM 874 N THR A 59 -4.836 2.230 -4.601 1.00 4.66 N ATOM 875 CA THR A 59 -5.802 3.101 -5.223 1.00 4.98 C ATOM 876 C THR A 59 -6.586 3.745 -4.092 1.00 4.60 C ATOM 877 O THR A 59 -6.665 3.172 -2.993 1.00 4.34 O ATOM 878 CB THR A 59 -6.756 2.308 -6.181 1.00 5.47 C ATOM 879 OG1 THR A 59 -5.969 1.604 -7.158 1.00 6.19 O ATOM 880 CG2 THR A 59 -7.706 3.246 -6.925 1.00 5.90 C ATOM 0 H THR A 59 -5.118 1.917 -3.672 1.00 4.66 H new ATOM 0 HA THR A 59 -5.306 3.850 -5.840 1.00 4.98 H new ATOM 0 HB THR A 59 -7.341 1.618 -5.573 1.00 5.47 H new ATOM 0 HG1 THR A 59 -6.562 1.105 -7.758 1.00 6.19 H new ATOM 0 HG21 THR A 59 -8.353 2.663 -7.580 1.00 5.90 H new ATOM 0 HG22 THR A 59 -8.316 3.792 -6.205 1.00 5.90 H new ATOM 0 HG23 THR A 59 -7.128 3.952 -7.521 1.00 5.90 H new ATOM 888 N SER A 60 -7.124 4.923 -4.313 1.00 4.93 N ATOM 889 CA SER A 60 -7.873 5.570 -3.297 1.00 5.08 C ATOM 890 C SER A 60 -9.225 4.895 -3.266 1.00 4.91 C ATOM 891 O SER A 60 -9.771 4.579 -4.340 1.00 5.44 O ATOM 892 CB SER A 60 -8.005 7.049 -3.668 1.00 5.82 C ATOM 893 OG SER A 60 -6.750 7.609 -3.951 1.00 6.47 O ATOM 0 H SER A 60 -7.049 5.439 -5.189 1.00 4.93 H new ATOM 0 HA SER A 60 -7.400 5.504 -2.317 1.00 5.08 H new ATOM 0 HB2 SER A 60 -8.658 7.154 -4.535 1.00 5.82 H new ATOM 0 HB3 SER A 60 -8.474 7.593 -2.848 1.00 5.82 H new ATOM 0 HG SER A 60 -6.859 8.554 -4.187 1.00 6.47 H new ATOM 899 N GLU A 61 -9.763 4.637 -2.060 1.00 4.39 N ATOM 900 CA GLU A 61 -11.056 3.968 -1.947 1.00 4.24 C ATOM 901 C GLU A 61 -12.089 4.675 -2.788 1.00 4.81 C ATOM 902 O GLU A 61 -12.871 4.047 -3.420 1.00 4.86 O ATOM 903 CB GLU A 61 -11.598 3.890 -0.521 1.00 4.06 C ATOM 904 CG GLU A 61 -12.936 3.156 -0.499 1.00 4.21 C ATOM 905 CD GLU A 61 -13.718 3.300 0.764 1.00 4.27 C ATOM 906 OE1 GLU A 61 -13.520 2.508 1.675 1.00 4.34 O ATOM 907 OE2 GLU A 61 -14.594 4.189 0.810 1.00 4.60 O ATOM 0 H GLU A 61 -9.327 4.879 -1.170 1.00 4.39 H new ATOM 0 HA GLU A 61 -10.877 2.950 -2.294 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -10.882 3.374 0.119 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -11.721 4.895 -0.116 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -13.545 3.518 -1.328 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -12.754 2.096 -0.676 1.00 4.21 H new ATOM 914 N VAL A 62 -12.039 5.992 -2.801 1.00 5.34 N ATOM 915 CA VAL A 62 -12.981 6.795 -3.546 1.00 6.05 C ATOM 916 C VAL A 62 -13.099 6.422 -5.023 1.00 6.40 C ATOM 917 O VAL A 62 -14.190 6.349 -5.532 1.00 6.81 O ATOM 918 CB VAL A 62 -12.729 8.291 -3.385 1.00 6.66 C ATOM 919 CG1 VAL A 62 -13.051 8.731 -1.973 1.00 7.23 C ATOM 920 CG2 VAL A 62 -11.294 8.657 -3.734 1.00 7.09 C ATOM 0 H VAL A 62 -11.341 6.535 -2.293 1.00 5.34 H new ATOM 0 HA VAL A 62 -13.945 6.560 -3.096 1.00 6.05 H new ATOM 0 HB VAL A 62 -13.386 8.813 -4.080 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -12.866 9.801 -1.874 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -14.099 8.522 -1.757 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -12.420 8.187 -1.270 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -11.151 9.730 -3.608 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -10.611 8.120 -3.075 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -11.090 8.383 -4.769 1.00 7.09 H new ATOM 930 N LYS A 63 -11.991 6.142 -5.676 1.00 6.35 N ATOM 931 CA LYS A 63 -12.035 5.779 -7.098 1.00 6.86 C ATOM 932 C LYS A 63 -12.624 4.361 -7.232 1.00 6.61 C ATOM 933 O LYS A 63 -13.362 4.039 -8.177 1.00 7.11 O ATOM 934 CB LYS A 63 -10.600 5.908 -7.706 1.00 7.01 C ATOM 935 CG LYS A 63 -10.455 5.718 -9.233 1.00 7.83 C ATOM 936 CD LYS A 63 -10.608 4.269 -9.677 1.00 8.08 C ATOM 937 CE LYS A 63 -10.362 4.129 -11.166 1.00 8.93 C ATOM 938 NZ LYS A 63 -10.430 2.715 -11.601 1.00 9.36 N ATOM 0 H LYS A 63 -11.058 6.155 -5.264 1.00 6.35 H new ATOM 0 HA LYS A 63 -12.681 6.453 -7.661 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -10.214 6.895 -7.451 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -9.958 5.177 -7.213 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -11.203 6.327 -9.741 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -9.478 6.086 -9.547 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -9.907 3.641 -9.128 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -11.610 3.915 -9.435 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -11.101 4.714 -11.714 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -9.383 4.539 -11.413 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -10.257 2.658 -12.625 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -9.708 2.162 -11.097 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -11.373 2.331 -11.387 1.00 9.36 H new ATOM 952 N CYS A 64 -12.341 3.544 -6.248 1.00 5.90 N ATOM 953 CA CYS A 64 -12.851 2.184 -6.204 1.00 5.63 C ATOM 954 C CYS A 64 -14.344 2.238 -5.855 1.00 5.60 C ATOM 955 O CYS A 64 -15.137 1.424 -6.288 1.00 5.71 O ATOM 956 CB CYS A 64 -12.090 1.380 -5.148 1.00 4.97 C ATOM 957 SG CYS A 64 -10.297 1.377 -5.383 1.00 4.95 S ATOM 0 H CYS A 64 -11.753 3.796 -5.454 1.00 5.90 H new ATOM 0 HA CYS A 64 -12.715 1.699 -7.171 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -12.317 1.786 -4.162 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -12.450 0.351 -5.159 1.00 4.97 H new ATOM 0 HG CYS A 64 -9.816 2.542 -5.066 1.00 4.95 H new ATOM 963 N ARG A 65 -14.682 3.251 -5.077 1.00 5.62 N ATOM 964 CA ARG A 65 -16.006 3.556 -4.644 1.00 5.84 C ATOM 965 C ARG A 65 -16.883 3.934 -5.813 1.00 6.60 C ATOM 966 O ARG A 65 -18.013 3.482 -5.892 1.00 6.69 O ATOM 967 CB ARG A 65 -15.966 4.681 -3.608 1.00 5.99 C ATOM 968 CG ARG A 65 -17.314 5.195 -3.219 1.00 5.98 C ATOM 969 CD ARG A 65 -17.223 6.366 -2.250 1.00 6.32 C ATOM 970 NE ARG A 65 -16.581 6.019 -0.971 1.00 6.70 N ATOM 971 CZ ARG A 65 -16.693 6.730 0.173 1.00 7.13 C ATOM 972 NH1 ARG A 65 -17.449 7.836 0.220 1.00 7.25 N ATOM 973 NH2 ARG A 65 -16.054 6.322 1.259 1.00 7.69 N ATOM 0 H ARG A 65 -13.991 3.910 -4.719 1.00 5.62 H new ATOM 0 HA ARG A 65 -16.436 2.667 -4.182 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -15.454 4.322 -2.716 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -15.374 5.506 -4.005 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -17.855 5.506 -4.113 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -17.890 4.391 -2.762 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -16.664 7.175 -2.721 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -18.226 6.744 -2.054 1.00 6.32 H new ATOM 0 HE ARG A 65 -16.007 5.176 -0.946 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -17.947 8.149 -0.613 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -17.526 8.365 1.089 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -15.483 5.477 1.228 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -16.133 6.852 2.127 1.00 7.69 H new ATOM 987 N GLU A 66 -16.355 4.740 -6.724 1.00 7.20 N ATOM 988 CA GLU A 66 -17.105 5.151 -7.919 1.00 8.03 C ATOM 989 C GLU A 66 -17.571 3.897 -8.651 1.00 8.03 C ATOM 990 O GLU A 66 -18.757 3.717 -8.973 1.00 8.42 O ATOM 991 CB GLU A 66 -16.195 5.953 -8.864 1.00 8.67 C ATOM 992 CG GLU A 66 -15.430 7.074 -8.194 1.00 8.45 C ATOM 993 CD GLU A 66 -14.596 7.895 -9.155 1.00 9.17 C ATOM 994 OE1 GLU A 66 -13.441 7.522 -9.408 1.00 9.78 O ATOM 995 OE2 GLU A 66 -15.102 8.917 -9.679 1.00 9.24 O ATOM 0 H GLU A 66 -15.412 5.125 -6.665 1.00 7.20 H new ATOM 0 HA GLU A 66 -17.952 5.768 -7.620 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -15.483 5.271 -9.329 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -16.803 6.373 -9.665 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -16.135 7.731 -7.685 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -14.778 6.652 -7.429 1.00 8.45 H new ATOM 1002 N HIS A 67 -16.641 3.014 -8.816 1.00 7.64 N ATOM 1003 CA HIS A 67 -16.848 1.760 -9.505 1.00 7.74 C ATOM 1004 C HIS A 67 -17.636 0.757 -8.611 1.00 7.19 C ATOM 1005 O HIS A 67 -18.192 -0.235 -9.097 1.00 7.42 O ATOM 1006 CB HIS A 67 -15.460 1.211 -9.914 1.00 7.65 C ATOM 1007 CG HIS A 67 -15.452 -0.075 -10.697 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -15.186 -0.143 -12.044 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -15.603 -1.345 -10.293 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -15.184 -1.399 -12.430 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -15.432 -2.154 -11.381 1.00 8.28 N ATOM 0 H HIS A 67 -15.689 3.138 -8.471 1.00 7.64 H new ATOM 0 HA HIS A 67 -17.455 1.909 -10.398 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -14.952 1.973 -10.504 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -14.871 1.063 -9.009 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -15.821 -1.670 -9.287 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -15.009 -1.751 -13.436 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -15.487 -3.172 -11.380 1.00 8.28 H new ATOM 1020 N ALA A 68 -17.686 1.030 -7.319 1.00 6.53 N ATOM 1021 CA ALA A 68 -18.353 0.153 -6.366 1.00 6.01 C ATOM 1022 C ALA A 68 -19.798 0.477 -6.211 1.00 6.43 C ATOM 1023 O ALA A 68 -20.610 -0.421 -6.140 1.00 6.43 O ATOM 1024 CB ALA A 68 -17.677 0.170 -5.013 1.00 5.28 C ATOM 0 H ALA A 68 -17.268 1.861 -6.900 1.00 6.53 H new ATOM 0 HA ALA A 68 -18.274 -0.851 -6.782 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -18.207 -0.497 -4.333 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -16.645 -0.163 -5.118 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -17.692 1.183 -4.612 1.00 5.28 H new ATOM 1030 N GLU A 69 -20.128 1.748 -6.158 1.00 6.88 N ATOM 1031 CA GLU A 69 -21.512 2.147 -6.043 1.00 7.44 C ATOM 1032 C GLU A 69 -22.215 1.786 -7.354 1.00 8.10 C ATOM 1033 O GLU A 69 -23.421 1.562 -7.403 1.00 8.50 O ATOM 1034 CB GLU A 69 -21.633 3.657 -5.774 1.00 7.93 C ATOM 1035 CG GLU A 69 -20.803 4.195 -4.588 1.00 7.64 C ATOM 1036 CD GLU A 69 -21.084 3.513 -3.258 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -22.213 3.664 -2.725 1.00 7.77 O ATOM 1038 OE2 GLU A 69 -20.179 2.836 -2.733 1.00 7.78 O ATOM 0 H GLU A 69 -19.461 2.519 -6.192 1.00 6.88 H new ATOM 0 HA GLU A 69 -21.975 1.629 -5.203 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -21.335 4.193 -6.675 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -22.682 3.893 -5.596 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -19.744 4.083 -4.822 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -20.995 5.263 -4.482 1.00 7.64 H new ATOM 1045 N ALA A 70 -21.410 1.714 -8.421 1.00 8.29 N ATOM 1046 CA ALA A 70 -21.887 1.319 -9.733 1.00 8.98 C ATOM 1047 C ALA A 70 -22.117 -0.201 -9.807 1.00 8.74 C ATOM 1048 O ALA A 70 -23.004 -0.666 -10.547 1.00 9.31 O ATOM 1049 CB ALA A 70 -20.878 1.740 -10.792 1.00 9.41 C ATOM 0 H ALA A 70 -20.413 1.929 -8.390 1.00 8.29 H new ATOM 0 HA ALA A 70 -22.840 1.816 -9.915 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -21.238 1.442 -11.777 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -20.751 2.822 -10.764 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -19.921 1.257 -10.595 1.00 9.41 H new ATOM 1055 N LYS A 71 -21.316 -0.987 -9.047 1.00 7.94 N ATOM 1056 CA LYS A 71 -21.409 -2.435 -9.087 1.00 7.72 C ATOM 1057 C LYS A 71 -21.372 -2.996 -7.656 1.00 7.00 C ATOM 1058 O LYS A 71 -22.304 -2.785 -6.900 1.00 7.10 O ATOM 1059 CB LYS A 71 -20.280 -3.077 -9.960 1.00 7.70 C ATOM 1060 CG LYS A 71 -20.123 -2.501 -11.378 1.00 8.55 C ATOM 1061 CD LYS A 71 -21.392 -2.651 -12.219 1.00 9.28 C ATOM 1062 CE LYS A 71 -21.246 -1.987 -13.588 1.00 10.04 C ATOM 1063 NZ LYS A 71 -22.507 -2.050 -14.371 1.00 10.32 N ATOM 0 H LYS A 71 -20.607 -0.628 -8.407 1.00 7.94 H new ATOM 0 HA LYS A 71 -22.358 -2.696 -9.556 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -19.332 -2.964 -9.435 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -20.473 -4.147 -10.042 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -19.860 -1.446 -11.310 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -19.297 -3.004 -11.881 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -21.618 -3.709 -12.350 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -22.235 -2.208 -11.688 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -20.952 -0.946 -13.457 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -20.447 -2.476 -14.146 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -22.367 -1.589 -15.293 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -22.775 -3.044 -14.518 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -23.263 -1.561 -13.851 1.00 10.32 H new ATOM 1077 N HIS A 72 -20.242 -3.705 -7.304 1.00 6.33 N ATOM 1078 CA HIS A 72 -19.966 -4.313 -5.960 1.00 5.62 C ATOM 1079 C HIS A 72 -21.216 -4.750 -5.147 1.00 5.65 C ATOM 1080 O HIS A 72 -21.305 -4.452 -3.970 1.00 5.60 O ATOM 1081 CB HIS A 72 -19.059 -3.389 -5.141 1.00 5.47 C ATOM 1082 CG HIS A 72 -17.706 -3.150 -5.763 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -16.564 -3.053 -5.040 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -17.332 -2.943 -7.056 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -15.550 -2.794 -5.854 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -15.992 -2.729 -7.066 1.00 7.47 N ATOM 0 H HIS A 72 -19.484 -3.870 -7.967 1.00 6.33 H new ATOM 0 HA HIS A 72 -19.454 -5.252 -6.170 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -19.560 -2.430 -5.007 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -18.921 -3.818 -4.149 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -16.495 -3.162 -4.028 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -17.984 -2.948 -7.917 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -14.522 -2.659 -5.553 1.00 7.21 H new ATOM 1095 N PRO A 73 -22.128 -5.544 -5.751 1.00 5.90 N ATOM 1096 CA PRO A 73 -23.383 -5.921 -5.109 1.00 6.06 C ATOM 1097 C PRO A 73 -23.242 -7.064 -4.095 1.00 5.49 C ATOM 1098 O PRO A 73 -24.216 -7.452 -3.446 1.00 5.49 O ATOM 1099 CB PRO A 73 -24.290 -6.357 -6.292 1.00 6.60 C ATOM 1100 CG PRO A 73 -23.434 -6.272 -7.532 1.00 6.81 C ATOM 1101 CD PRO A 73 -22.010 -6.114 -7.085 1.00 6.21 C ATOM 0 HA PRO A 73 -23.781 -5.092 -4.524 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -24.662 -7.371 -6.144 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -25.161 -5.707 -6.375 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -23.548 -7.170 -8.139 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -23.738 -5.428 -8.151 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -21.488 -7.070 -7.067 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -21.451 -5.458 -7.753 1.00 6.21 H new ATOM 1109 N LYS A 74 -22.049 -7.607 -3.974 1.00 5.12 N ATOM 1110 CA LYS A 74 -21.807 -8.730 -3.095 1.00 4.75 C ATOM 1111 C LYS A 74 -20.335 -8.893 -2.775 1.00 4.46 C ATOM 1112 O LYS A 74 -19.571 -9.259 -3.623 1.00 4.75 O ATOM 1113 CB LYS A 74 -22.332 -10.035 -3.717 1.00 5.23 C ATOM 1114 CG LYS A 74 -21.838 -10.311 -5.154 1.00 5.74 C ATOM 1115 CD LYS A 74 -22.174 -11.738 -5.596 1.00 6.36 C ATOM 1116 CE LYS A 74 -21.466 -12.763 -4.713 1.00 6.91 C ATOM 1117 NZ LYS A 74 -21.793 -14.149 -5.067 1.00 7.32 N ATOM 0 H LYS A 74 -21.224 -7.284 -4.480 1.00 5.12 H new ATOM 0 HA LYS A 74 -22.342 -8.522 -2.169 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -22.038 -10.869 -3.080 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -23.422 -10.006 -3.721 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -22.295 -9.599 -5.841 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -20.760 -10.157 -5.206 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -23.252 -11.894 -5.548 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -21.877 -11.881 -6.635 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -20.388 -12.619 -4.791 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -21.737 -12.586 -3.672 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -21.284 -14.798 -4.434 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -22.817 -14.300 -4.967 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -21.510 -14.332 -6.051 1.00 7.32 H new ATOM 1131 N ALA A 75 -19.939 -8.610 -1.566 1.00 4.19 N ATOM 1132 CA ALA A 75 -18.565 -8.863 -1.171 1.00 4.02 C ATOM 1133 C ALA A 75 -18.518 -10.205 -0.433 1.00 4.43 C ATOM 1134 O ALA A 75 -19.220 -10.400 0.567 1.00 4.52 O ATOM 1135 CB ALA A 75 -17.976 -7.692 -0.358 1.00 3.36 C ATOM 0 H ALA A 75 -20.532 -8.209 -0.839 1.00 4.19 H new ATOM 0 HA ALA A 75 -17.927 -8.932 -2.052 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -16.947 -7.922 -0.082 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -17.996 -6.784 -0.961 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -18.568 -7.541 0.545 1.00 3.36 H new ATOM 1141 N ASP A 76 -17.713 -11.119 -0.950 1.00 5.01 N ATOM 1142 CA ASP A 76 -17.660 -12.505 -0.458 1.00 5.63 C ATOM 1143 C ASP A 76 -16.480 -12.699 0.492 1.00 5.81 C ATOM 1144 O ASP A 76 -16.587 -12.473 1.677 1.00 5.63 O ATOM 1145 CB ASP A 76 -17.513 -13.497 -1.629 1.00 6.39 C ATOM 1146 CG ASP A 76 -18.605 -13.409 -2.694 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -18.454 -12.593 -3.631 1.00 6.82 O ATOM 1148 OD2 ASP A 76 -19.609 -14.165 -2.614 1.00 6.80 O ATOM 0 H ASP A 76 -17.074 -10.931 -1.723 1.00 5.01 H new ATOM 0 HA ASP A 76 -18.593 -12.697 0.071 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -16.547 -13.331 -2.106 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -17.500 -14.510 -1.227 1.00 6.39 H new ATOM 1153 N VAL A 77 -15.326 -13.089 -0.053 1.00 6.30 N ATOM 1154 CA VAL A 77 -14.104 -13.236 0.754 1.00 6.58 C ATOM 1155 C VAL A 77 -13.456 -11.882 0.918 1.00 5.93 C ATOM 1156 O VAL A 77 -12.556 -11.682 1.720 1.00 6.00 O ATOM 1157 CB VAL A 77 -13.085 -14.252 0.138 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -13.703 -15.634 0.007 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -12.562 -13.775 -1.218 1.00 7.55 C ATOM 0 H VAL A 77 -15.208 -13.308 -1.042 1.00 6.30 H new ATOM 0 HA VAL A 77 -14.395 -13.640 1.724 1.00 6.58 H new ATOM 0 HB VAL A 77 -12.239 -14.313 0.823 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -12.973 -16.320 -0.424 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -14.002 -15.994 0.992 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -14.578 -15.581 -0.641 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -11.857 -14.506 -1.614 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -13.396 -13.663 -1.911 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -12.059 -12.815 -1.097 1.00 7.55 H new ATOM 1169 N VAL A 78 -13.948 -10.966 0.140 1.00 5.38 N ATOM 1170 CA VAL A 78 -13.530 -9.602 0.158 1.00 4.74 C ATOM 1171 C VAL A 78 -14.530 -8.797 0.968 1.00 4.00 C ATOM 1172 O VAL A 78 -14.527 -7.592 0.939 1.00 3.42 O ATOM 1173 CB VAL A 78 -13.425 -9.030 -1.277 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -12.372 -9.784 -2.081 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -14.768 -9.083 -1.970 1.00 4.70 C ATOM 0 H VAL A 78 -14.677 -11.157 -0.548 1.00 5.38 H new ATOM 0 HA VAL A 78 -12.541 -9.539 0.612 1.00 4.74 H new ATOM 0 HB VAL A 78 -13.117 -7.987 -1.209 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -12.314 -9.367 -3.086 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -11.403 -9.688 -1.592 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -12.645 -10.837 -2.141 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -14.674 -8.677 -2.977 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -15.108 -10.117 -2.026 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -15.491 -8.493 -1.407 1.00 4.70 H new ATOM 1185 N ALA A 79 -15.398 -9.500 1.718 1.00 4.18 N ATOM 1186 CA ALA A 79 -16.417 -8.858 2.579 1.00 3.76 C ATOM 1187 C ALA A 79 -15.767 -8.011 3.689 1.00 3.69 C ATOM 1188 O ALA A 79 -16.426 -7.178 4.349 1.00 3.56 O ATOM 1189 CB ALA A 79 -17.322 -9.902 3.178 1.00 4.24 C ATOM 0 H ALA A 79 -15.416 -10.519 1.747 1.00 4.18 H new ATOM 0 HA ALA A 79 -17.009 -8.188 1.955 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -18.067 -9.418 3.809 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -17.823 -10.450 2.380 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -16.732 -10.594 3.779 1.00 4.24 H new ATOM 1195 N CYS A 80 -14.495 -8.235 3.890 1.00 4.00 N ATOM 1196 CA CYS A 80 -13.686 -7.479 4.809 1.00 4.07 C ATOM 1197 C CYS A 80 -13.348 -6.102 4.227 1.00 3.33 C ATOM 1198 O CYS A 80 -12.926 -5.190 4.954 1.00 3.38 O ATOM 1199 CB CYS A 80 -12.419 -8.269 5.103 1.00 4.73 C ATOM 1200 SG CYS A 80 -12.717 -9.847 5.922 1.00 5.60 S ATOM 0 H CYS A 80 -13.979 -8.969 3.405 1.00 4.00 H new ATOM 0 HA CYS A 80 -14.237 -7.315 5.735 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -11.890 -8.450 4.167 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -11.762 -7.664 5.728 1.00 4.73 H new ATOM 0 HG CYS A 80 -11.584 -10.449 6.130 1.00 5.60 H new ATOM 1206 N PHE A 81 -13.545 -5.961 2.930 1.00 2.86 N ATOM 1207 CA PHE A 81 -13.306 -4.735 2.192 1.00 2.27 C ATOM 1208 C PHE A 81 -14.193 -4.656 0.910 1.00 2.17 C ATOM 1209 O PHE A 81 -13.718 -4.785 -0.219 1.00 2.52 O ATOM 1210 CB PHE A 81 -11.796 -4.557 1.900 1.00 2.41 C ATOM 1211 CG PHE A 81 -11.096 -5.819 1.399 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -11.080 -6.117 0.039 1.00 3.50 C ATOM 1213 CD2 PHE A 81 -10.479 -6.692 2.270 1.00 3.67 C ATOM 1214 CE1 PHE A 81 -10.463 -7.256 -0.428 1.00 4.57 C ATOM 1215 CE2 PHE A 81 -9.855 -7.828 1.805 1.00 4.68 C ATOM 1216 CZ PHE A 81 -9.795 -8.110 0.519 1.00 5.13 C ATOM 0 H PHE A 81 -13.887 -6.721 2.342 1.00 2.86 H new ATOM 0 HA PHE A 81 -13.607 -3.892 2.814 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -11.673 -3.769 1.157 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -11.300 -4.218 2.810 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -11.558 -5.446 -0.659 1.00 3.50 H new ATOM 0 HD2 PHE A 81 -10.485 -6.482 3.329 1.00 3.67 H new ATOM 0 HE1 PHE A 81 -10.480 -7.503 -1.479 1.00 4.57 H new ATOM 0 HE2 PHE A 81 -9.403 -8.506 2.513 1.00 4.68 H new ATOM 0 HZ PHE A 81 -9.248 -8.976 0.178 1.00 5.13 H new ATOM 1226 N PRO A 82 -15.532 -4.460 1.097 1.00 2.09 N ATOM 1227 CA PRO A 82 -16.533 -4.491 -0.013 1.00 2.39 C ATOM 1228 C PRO A 82 -16.263 -3.495 -1.135 1.00 2.74 C ATOM 1229 O PRO A 82 -16.698 -3.693 -2.290 1.00 3.27 O ATOM 1230 CB PRO A 82 -17.853 -4.153 0.696 1.00 2.47 C ATOM 1231 CG PRO A 82 -17.635 -4.533 2.122 1.00 2.41 C ATOM 1232 CD PRO A 82 -16.192 -4.226 2.412 1.00 2.19 C ATOM 0 HA PRO A 82 -16.519 -5.457 -0.518 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.091 -3.093 0.602 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -18.686 -4.707 0.263 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -18.295 -3.970 2.782 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -17.850 -5.590 2.282 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -16.058 -3.200 2.754 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -15.789 -4.876 3.188 1.00 2.19 H new ATOM 1240 N HIS A 83 -15.531 -2.452 -0.836 1.00 2.68 N ATOM 1241 CA HIS A 83 -15.265 -1.439 -1.836 1.00 3.26 C ATOM 1242 C HIS A 83 -14.257 -1.921 -2.879 1.00 3.66 C ATOM 1243 O HIS A 83 -13.983 -1.203 -3.822 1.00 4.25 O ATOM 1244 CB HIS A 83 -14.807 -0.085 -1.229 1.00 3.25 C ATOM 1245 CG HIS A 83 -15.812 0.614 -0.342 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -16.814 1.439 -0.831 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -15.949 0.633 1.010 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -17.506 1.927 0.180 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -17.003 1.454 1.303 1.00 4.19 N ATOM 0 H HIS A 83 -15.112 -2.279 0.078 1.00 2.68 H new ATOM 0 HA HIS A 83 -16.220 -1.262 -2.331 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -13.899 -0.257 -0.651 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -14.543 0.587 -2.046 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -15.338 0.098 1.722 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -18.345 2.602 0.101 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -17.345 1.666 2.240 1.00 4.19 H new ATOM 1258 N LEU A 84 -13.741 -3.148 -2.739 1.00 3.56 N ATOM 1259 CA LEU A 84 -12.720 -3.645 -3.674 1.00 4.20 C ATOM 1260 C LEU A 84 -13.177 -4.960 -4.346 1.00 4.81 C ATOM 1261 O LEU A 84 -12.379 -5.652 -4.932 1.00 5.47 O ATOM 1262 CB LEU A 84 -11.432 -3.916 -2.900 1.00 4.05 C ATOM 1263 CG LEU A 84 -11.022 -2.827 -1.892 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -9.743 -3.224 -1.158 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -10.826 -1.471 -2.569 1.00 3.49 C ATOM 0 H LEU A 84 -14.005 -3.804 -2.004 1.00 3.56 H new ATOM 0 HA LEU A 84 -12.561 -2.892 -4.446 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -11.542 -4.859 -2.365 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -10.620 -4.049 -3.615 1.00 4.05 H new ATOM 0 HG LEU A 84 -11.836 -2.734 -1.173 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -9.471 -2.440 -0.451 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -9.907 -4.158 -0.620 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -8.936 -3.358 -1.879 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -10.537 -0.730 -1.823 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -10.043 -1.551 -3.323 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -11.758 -1.163 -3.044 1.00 3.49 H new ATOM 1277 N LYS A 85 -14.486 -5.284 -4.241 1.00 4.68 N ATOM 1278 CA LYS A 85 -15.046 -6.551 -4.802 1.00 5.28 C ATOM 1279 C LYS A 85 -14.729 -6.763 -6.323 1.00 6.06 C ATOM 1280 O LYS A 85 -13.860 -7.532 -6.681 1.00 6.40 O ATOM 1281 CB LYS A 85 -16.577 -6.625 -4.583 1.00 5.04 C ATOM 1282 CG LYS A 85 -17.126 -8.046 -4.462 1.00 5.59 C ATOM 1283 CD LYS A 85 -16.809 -8.981 -5.630 1.00 6.41 C ATOM 1284 CE LYS A 85 -17.291 -10.400 -5.344 1.00 7.19 C ATOM 1285 NZ LYS A 85 -16.941 -11.346 -6.418 1.00 8.04 N ATOM 0 H LYS A 85 -15.177 -4.694 -3.777 1.00 4.68 H new ATOM 0 HA LYS A 85 -14.549 -7.353 -4.256 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -16.830 -6.072 -3.679 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -17.076 -6.125 -5.413 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -16.733 -8.491 -3.548 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -18.209 -7.989 -4.350 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -17.284 -8.608 -6.538 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -15.734 -8.988 -5.813 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -16.857 -10.745 -4.406 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -18.373 -10.392 -5.210 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -17.291 -12.294 -6.173 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -17.377 -11.035 -7.310 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -15.908 -11.377 -6.530 1.00 8.04 H new ATOM 1299 N LYS A 86 -15.536 -6.158 -7.172 1.00 6.60 N ATOM 1300 CA LYS A 86 -15.359 -6.243 -8.623 1.00 7.50 C ATOM 1301 C LYS A 86 -14.515 -5.107 -9.128 1.00 8.13 C ATOM 1302 O LYS A 86 -13.366 -5.337 -9.489 1.00 8.62 O ATOM 1303 CB LYS A 86 -16.722 -6.251 -9.341 1.00 8.04 C ATOM 1304 CG LYS A 86 -17.560 -7.511 -9.113 1.00 8.96 C ATOM 1305 CD LYS A 86 -16.888 -8.758 -9.703 1.00 9.74 C ATOM 1306 CE LYS A 86 -16.756 -8.656 -11.228 1.00 10.66 C ATOM 1307 NZ LYS A 86 -16.124 -9.850 -11.821 1.00 11.10 N ATOM 1308 OXT LYS A 86 -15.027 -3.954 -9.123 1.00 8.37 O ATOM 0 H LYS A 86 -16.334 -5.592 -6.884 1.00 6.60 H new ATOM 0 HA LYS A 86 -14.845 -7.179 -8.842 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -17.296 -5.385 -9.011 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -16.554 -6.132 -10.411 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -17.717 -7.654 -8.044 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -18.543 -7.380 -9.565 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -15.901 -8.885 -9.259 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -17.470 -9.643 -9.445 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -17.744 -8.516 -11.667 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -16.167 -7.774 -11.480 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -16.058 -9.732 -12.852 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -15.170 -9.971 -11.425 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -16.698 -10.690 -11.605 1.00 11.10 H new TER 1322 LYS A 86