USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=29 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 Single : A 1 GLY N :NH3+ 130:sc= 0.0369 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 1.03 K(o=1,f=-3.2!) USER MOD Single : A 5 HIS : no HD1:sc=-0.00264 X(o=-0.0026,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.213! C(o=0.21!,f=-5.3!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 13 ASN : amide:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0522) USER MOD Single : A 17 SER OG : rot 180:sc= -0.626 USER MOD Single : A 19 MET CE :methyl -141:sc= -0.227 (180deg=-0.857) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.148) USER MOD Single : A 24 ASN : amide:sc= 0.0817 K(o=0.082,f=-9.4!) USER MOD Single : A 27 LYS NZ :NH3+ -112:sc= -0.0332 (180deg=-0.628) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= -0.0112 (180deg=-0.189) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0265 (180deg=-0.219) USER MOD Single : A 35 SER OG : rot 180:sc= -0.179 USER MOD Single : A 36 GLN : amide:sc= -0.555 K(o=-0.55,f=-1.3) USER MOD Single : A 40 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.15) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0887 (180deg=-0.398) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 111:sc= 1.34 USER MOD Single : A 47 GLN : amide:sc= -1.08 X(o=-1.1,f=-0.9) USER MOD Single : A 48 CYS SG : rot -170:sc= -6.15! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 158:sc= -0.222 (180deg=-0.855) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0865 F(o=-1.6,f=-0.086) USER MOD Single : A 54 THR OG1 : rot 39:sc= 0.179 USER MOD Single : A 57 CYS SG : rot 34:sc= 0.467 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.516 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0342) USER MOD Single : A 64 CYS SG : rot 12:sc= -6.61! USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -137:sc= 0.084 (180deg=-0.122) USER MOD Single : A 72 HIS :FLIP no HE2:sc= -0.691 F(o=-1.8,f=-0.69) USER MOD Single : A 74 LYS NZ :NH3+ -172:sc=-0.00678 (180deg=-0.0824) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0792 X(o=-0.079,f=-0.36) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 147:sc= 0.606 (180deg=-1.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.749 1.047 12.610 1.00 19.14 N ATOM 2 CA GLY A 1 38.465 0.346 12.580 1.00 18.53 C ATOM 3 C GLY A 1 38.056 -0.047 13.969 1.00 18.04 C ATOM 4 O GLY A 1 38.905 -0.415 14.769 1.00 17.99 O ATOM 0 H1 GLY A 1 40.392 0.623 11.911 1.00 19.14 H new ATOM 0 H2 GLY A 1 39.602 2.051 12.381 1.00 19.14 H new ATOM 0 H3 GLY A 1 40.167 0.966 13.559 1.00 19.14 H new ATOM 0 HA2 GLY A 1 37.703 0.987 12.136 1.00 18.53 H new ATOM 0 HA3 GLY A 1 38.541 -0.541 11.951 1.00 18.53 H new ATOM 10 N HIS A 2 36.768 0.039 14.288 1.00 17.81 N ATOM 11 CA HIS A 2 36.321 -0.322 15.644 1.00 17.49 C ATOM 12 C HIS A 2 34.865 -0.798 15.691 1.00 16.98 C ATOM 13 O HIS A 2 34.281 -0.875 16.762 1.00 17.17 O ATOM 14 CB HIS A 2 36.563 0.835 16.672 1.00 17.97 C ATOM 15 CG HIS A 2 35.814 2.123 16.410 1.00 18.64 C ATOM 16 ND1 HIS A 2 34.713 2.511 17.127 1.00 19.07 N ATOM 17 CD2 HIS A 2 36.033 3.113 15.511 1.00 19.08 C ATOM 18 CE1 HIS A 2 34.283 3.667 16.685 1.00 19.72 C ATOM 19 NE2 HIS A 2 35.066 4.062 15.704 1.00 19.74 N ATOM 0 H HIS A 2 36.030 0.345 13.654 1.00 17.81 H new ATOM 0 HA HIS A 2 36.940 -1.169 15.938 1.00 17.49 H new ATOM 0 HB2 HIS A 2 36.291 0.475 17.664 1.00 17.97 H new ATOM 0 HB3 HIS A 2 37.630 1.057 16.695 1.00 17.97 H new ATOM 0 HD2 HIS A 2 36.825 3.147 14.777 1.00 19.08 H new ATOM 0 HE1 HIS A 2 33.427 4.207 17.063 1.00 19.72 H new ATOM 0 HE2 HIS A 2 34.969 4.929 15.176 1.00 19.74 H new ATOM 28 N HIS A 3 34.294 -1.154 14.529 1.00 16.46 N ATOM 29 CA HIS A 3 32.900 -1.659 14.474 1.00 16.07 C ATOM 30 C HIS A 3 32.569 -2.107 13.045 1.00 15.28 C ATOM 31 O HIS A 3 31.935 -3.122 12.840 1.00 15.31 O ATOM 32 CB HIS A 3 31.879 -0.590 14.978 1.00 16.31 C ATOM 33 CG HIS A 3 30.459 -1.095 15.156 1.00 16.79 C ATOM 34 ND1 HIS A 3 29.986 -1.596 16.352 1.00 17.14 N ATOM 35 CD2 HIS A 3 29.406 -1.133 14.298 1.00 17.13 C ATOM 36 CE1 HIS A 3 28.711 -1.925 16.224 1.00 17.67 C ATOM 37 NE2 HIS A 3 28.336 -1.652 14.984 1.00 17.67 N ATOM 0 H HIS A 3 34.762 -1.105 13.624 1.00 16.46 H new ATOM 0 HA HIS A 3 32.818 -2.516 15.143 1.00 16.07 H new ATOM 0 HB2 HIS A 3 32.230 -0.194 15.931 1.00 16.31 H new ATOM 0 HB3 HIS A 3 31.868 0.241 14.273 1.00 16.31 H new ATOM 0 HD2 HIS A 3 29.410 -0.814 13.266 1.00 17.13 H new ATOM 0 HE1 HIS A 3 28.084 -2.344 16.997 1.00 17.67 H new ATOM 0 HE2 HIS A 3 27.403 -1.803 14.600 1.00 17.67 H new ATOM 46 N HIS A 4 33.015 -1.316 12.074 1.00 14.74 N ATOM 47 CA HIS A 4 32.843 -1.594 10.650 1.00 14.10 C ATOM 48 C HIS A 4 33.770 -0.609 9.948 1.00 13.70 C ATOM 49 O HIS A 4 34.304 0.264 10.626 1.00 14.01 O ATOM 50 CB HIS A 4 31.346 -1.386 10.235 1.00 13.88 C ATOM 51 CG HIS A 4 30.993 -1.841 8.826 1.00 13.85 C ATOM 52 ND1 HIS A 4 30.710 -3.156 8.513 1.00 14.10 N ATOM 53 CD2 HIS A 4 30.884 -1.152 7.654 1.00 13.80 C ATOM 54 CE1 HIS A 4 30.433 -3.257 7.224 1.00 14.18 C ATOM 55 NE2 HIS A 4 30.531 -2.057 6.676 1.00 14.00 N ATOM 0 H HIS A 4 33.516 -0.447 12.257 1.00 14.74 H new ATOM 0 HA HIS A 4 33.086 -2.623 10.385 1.00 14.10 H new ATOM 0 HB2 HIS A 4 30.712 -1.922 10.942 1.00 13.88 H new ATOM 0 HB3 HIS A 4 31.104 -0.327 10.329 1.00 13.88 H new ATOM 0 HD2 HIS A 4 31.045 -0.093 7.517 1.00 13.80 H new ATOM 0 HE1 HIS A 4 30.171 -4.167 6.705 1.00 14.18 H new ATOM 0 HE2 HIS A 4 30.372 -1.838 5.693 1.00 14.00 H new ATOM 64 N HIS A 5 34.003 -0.758 8.640 1.00 13.18 N ATOM 65 CA HIS A 5 34.907 0.179 7.924 1.00 12.93 C ATOM 66 C HIS A 5 34.383 1.623 7.928 1.00 12.32 C ATOM 67 O HIS A 5 34.937 2.481 8.599 1.00 12.40 O ATOM 68 CB HIS A 5 35.227 -0.281 6.483 1.00 13.06 C ATOM 69 CG HIS A 5 36.042 -1.550 6.392 1.00 13.43 C ATOM 70 ND1 HIS A 5 35.786 -2.550 5.475 1.00 13.64 N ATOM 71 CD2 HIS A 5 37.141 -1.958 7.085 1.00 13.81 C ATOM 72 CE1 HIS A 5 36.684 -3.514 5.614 1.00 14.12 C ATOM 73 NE2 HIS A 5 37.506 -3.177 6.584 1.00 14.24 N ATOM 0 H HIS A 5 33.597 -1.492 8.060 1.00 13.18 H new ATOM 0 HA HIS A 5 35.840 0.164 8.487 1.00 12.93 H new ATOM 0 HB2 HIS A 5 34.290 -0.428 5.946 1.00 13.06 H new ATOM 0 HB3 HIS A 5 35.765 0.518 5.972 1.00 13.06 H new ATOM 0 HD2 HIS A 5 37.633 -1.419 7.882 1.00 13.81 H new ATOM 0 HE1 HIS A 5 36.733 -4.422 5.031 1.00 14.12 H new ATOM 0 HE2 HIS A 5 38.293 -3.737 6.911 1.00 14.24 H new ATOM 82 N HIS A 6 33.318 1.889 7.185 1.00 11.88 N ATOM 83 CA HIS A 6 32.763 3.243 7.131 1.00 11.42 C ATOM 84 C HIS A 6 31.351 3.328 7.661 1.00 10.42 C ATOM 85 O HIS A 6 30.757 2.311 8.057 1.00 10.22 O ATOM 86 CB HIS A 6 32.817 3.842 5.722 1.00 11.97 C ATOM 87 CG HIS A 6 34.150 4.352 5.287 1.00 12.55 C ATOM 88 ND1 HIS A 6 34.282 5.203 4.243 1.00 12.82 N ATOM 89 CD2 HIS A 6 35.397 4.155 5.769 1.00 13.11 C ATOM 90 CE1 HIS A 6 35.532 5.528 4.083 1.00 13.49 C ATOM 91 NE2 HIS A 6 36.239 4.907 5.000 1.00 13.67 N ATOM 0 H HIS A 6 32.824 1.200 6.618 1.00 11.88 H new ATOM 0 HA HIS A 6 33.405 3.832 7.787 1.00 11.42 H new ATOM 0 HB2 HIS A 6 32.489 3.083 5.012 1.00 11.97 H new ATOM 0 HB3 HIS A 6 32.100 4.661 5.667 1.00 11.97 H new ATOM 0 HD1 HIS A 6 33.513 5.541 3.665 1.00 12.82 H new ATOM 0 HD2 HIS A 6 35.674 3.525 6.601 1.00 13.11 H new ATOM 0 HE1 HIS A 6 35.921 6.194 3.327 1.00 13.49 H new ATOM 100 N HIS A 7 30.817 4.556 7.664 1.00 9.98 N ATOM 101 CA HIS A 7 29.465 4.847 8.122 1.00 9.18 C ATOM 102 C HIS A 7 28.827 5.819 7.167 1.00 9.04 C ATOM 103 O HIS A 7 29.164 6.992 7.186 1.00 9.71 O ATOM 104 CB HIS A 7 29.468 5.466 9.535 1.00 9.12 C ATOM 105 CG HIS A 7 30.004 4.580 10.609 1.00 9.44 C ATOM 106 ND1 HIS A 7 31.226 4.777 11.202 1.00 9.56 N ATOM 107 CD2 HIS A 7 29.463 3.503 11.217 1.00 9.92 C ATOM 108 CE1 HIS A 7 31.418 3.868 12.119 1.00 10.08 C ATOM 109 NE2 HIS A 7 30.362 3.075 12.159 1.00 10.30 N ATOM 0 H HIS A 7 31.323 5.381 7.343 1.00 9.98 H new ATOM 0 HA HIS A 7 28.907 3.912 8.159 1.00 9.18 H new ATOM 0 HB2 HIS A 7 30.057 6.383 9.513 1.00 9.12 H new ATOM 0 HB3 HIS A 7 28.448 5.749 9.794 1.00 9.12 H new ATOM 0 HD2 HIS A 7 28.501 3.061 11.001 1.00 9.92 H new ATOM 0 HE1 HIS A 7 32.295 3.779 12.742 1.00 10.08 H new ATOM 0 HE2 HIS A 7 30.237 2.279 12.785 1.00 10.30 H new ATOM 118 N LEU A 8 27.945 5.300 6.315 1.00 8.37 N ATOM 119 CA LEU A 8 27.211 6.086 5.303 1.00 8.37 C ATOM 120 C LEU A 8 28.147 6.696 4.255 1.00 8.86 C ATOM 121 O LEU A 8 28.758 7.759 4.466 1.00 9.23 O ATOM 122 CB LEU A 8 26.309 7.169 5.940 1.00 9.01 C ATOM 123 CG LEU A 8 25.444 7.989 4.968 1.00 9.38 C ATOM 124 CD1 LEU A 8 24.475 7.086 4.213 1.00 9.11 C ATOM 125 CD2 LEU A 8 24.685 9.075 5.708 1.00 10.10 C ATOM 0 H LEU A 8 27.711 4.307 6.301 1.00 8.37 H new ATOM 0 HA LEU A 8 26.558 5.381 4.789 1.00 8.37 H new ATOM 0 HB2 LEU A 8 25.650 6.685 6.661 1.00 9.01 H new ATOM 0 HB3 LEU A 8 26.943 7.857 6.499 1.00 9.01 H new ATOM 0 HG LEU A 8 26.108 8.463 4.245 1.00 9.38 H new ATOM 0 HD11 LEU A 8 23.873 7.687 3.531 1.00 9.11 H new ATOM 0 HD12 LEU A 8 25.036 6.345 3.644 1.00 9.11 H new ATOM 0 HD13 LEU A 8 23.821 6.579 4.923 1.00 9.11 H new ATOM 0 HD21 LEU A 8 24.080 9.642 5.001 1.00 10.10 H new ATOM 0 HD22 LEU A 8 24.037 8.620 6.457 1.00 10.10 H new ATOM 0 HD23 LEU A 8 25.392 9.744 6.198 1.00 10.10 H new ATOM 137 N GLU A 9 28.247 6.022 3.134 1.00 9.12 N ATOM 138 CA GLU A 9 29.073 6.468 2.035 1.00 9.86 C ATOM 139 C GLU A 9 28.269 7.423 1.157 1.00 9.89 C ATOM 140 O GLU A 9 28.819 8.289 0.485 1.00 10.56 O ATOM 141 CB GLU A 9 29.554 5.268 1.197 1.00 10.56 C ATOM 142 CG GLU A 9 30.443 4.268 1.946 1.00 11.13 C ATOM 143 CD GLU A 9 31.802 4.846 2.323 1.00 11.53 C ATOM 144 OE1 GLU A 9 31.874 5.706 3.221 1.00 11.70 O ATOM 145 OE2 GLU A 9 32.805 4.486 1.701 1.00 11.87 O ATOM 0 H GLU A 9 27.756 5.145 2.957 1.00 9.12 H new ATOM 0 HA GLU A 9 29.948 6.982 2.434 1.00 9.86 H new ATOM 0 HB2 GLU A 9 28.681 4.739 0.814 1.00 10.56 H new ATOM 0 HB3 GLU A 9 30.103 5.644 0.334 1.00 10.56 H new ATOM 0 HG2 GLU A 9 29.930 3.940 2.850 1.00 11.13 H new ATOM 0 HG3 GLU A 9 30.590 3.384 1.325 1.00 11.13 H new ATOM 152 N GLY A 10 26.951 7.251 1.158 1.00 9.36 N ATOM 153 CA GLY A 10 26.084 8.110 0.366 1.00 9.60 C ATOM 154 C GLY A 10 25.177 7.314 -0.540 1.00 8.87 C ATOM 155 O GLY A 10 24.007 7.623 -0.673 1.00 9.04 O ATOM 0 H GLY A 10 26.465 6.531 1.693 1.00 9.36 H new ATOM 0 HA2 GLY A 10 25.481 8.729 1.031 1.00 9.60 H new ATOM 0 HA3 GLY A 10 26.693 8.786 -0.234 1.00 9.60 H new ATOM 159 N GLY A 11 25.722 6.286 -1.148 1.00 8.30 N ATOM 160 CA GLY A 11 24.957 5.474 -2.057 1.00 7.80 C ATOM 161 C GLY A 11 25.724 4.268 -2.507 1.00 8.13 C ATOM 162 O GLY A 11 26.743 3.918 -1.903 1.00 8.45 O ATOM 0 H GLY A 11 26.692 5.995 -1.028 1.00 8.30 H new ATOM 0 HA2 GLY A 11 24.034 5.157 -1.572 1.00 7.80 H new ATOM 0 HA3 GLY A 11 24.673 6.069 -2.925 1.00 7.80 H new ATOM 166 N GLY A 12 25.251 3.639 -3.549 1.00 8.34 N ATOM 167 CA GLY A 12 25.881 2.466 -4.048 1.00 8.95 C ATOM 168 C GLY A 12 24.859 1.519 -4.627 1.00 8.79 C ATOM 169 O GLY A 12 24.468 1.672 -5.777 1.00 9.24 O ATOM 0 H GLY A 12 24.422 3.930 -4.067 1.00 8.34 H new ATOM 0 HA2 GLY A 12 26.609 2.735 -4.813 1.00 8.95 H new ATOM 0 HA3 GLY A 12 26.429 1.972 -3.246 1.00 8.95 H new ATOM 173 N ASN A 13 24.398 0.574 -3.795 1.00 8.39 N ATOM 174 CA ASN A 13 23.423 -0.481 -4.179 1.00 8.53 C ATOM 175 C ASN A 13 23.956 -1.384 -5.300 1.00 9.29 C ATOM 176 O ASN A 13 23.896 -1.045 -6.477 1.00 9.68 O ATOM 177 CB ASN A 13 22.031 0.090 -4.547 1.00 8.84 C ATOM 178 CG ASN A 13 21.020 -1.001 -4.912 1.00 9.25 C ATOM 179 OD1 ASN A 13 20.314 -1.516 -4.052 1.00 9.50 O ATOM 180 ND2 ASN A 13 20.947 -1.352 -6.180 1.00 9.58 N ATOM 0 H ASN A 13 24.691 0.512 -2.820 1.00 8.39 H new ATOM 0 HA ASN A 13 23.292 -1.096 -3.288 1.00 8.53 H new ATOM 0 HB2 ASN A 13 21.647 0.669 -3.707 1.00 8.84 H new ATOM 0 HB3 ASN A 13 22.136 0.778 -5.386 1.00 8.84 H new ATOM 0 HD21 ASN A 13 20.288 -2.073 -6.472 1.00 9.58 H new ATOM 0 HD22 ASN A 13 21.550 -0.902 -6.869 1.00 9.58 H new ATOM 187 N ALA A 14 24.484 -2.521 -4.916 1.00 9.70 N ATOM 188 CA ALA A 14 25.033 -3.482 -5.854 1.00 10.58 C ATOM 189 C ALA A 14 25.043 -4.834 -5.194 1.00 11.08 C ATOM 190 O ALA A 14 24.743 -4.942 -3.999 1.00 11.12 O ATOM 191 CB ALA A 14 26.454 -3.091 -6.263 1.00 10.70 C ATOM 0 H ALA A 14 24.547 -2.811 -3.940 1.00 9.70 H new ATOM 0 HA ALA A 14 24.419 -3.503 -6.755 1.00 10.58 H new ATOM 0 HB1 ALA A 14 26.845 -3.826 -6.967 1.00 10.70 H new ATOM 0 HB2 ALA A 14 26.439 -2.109 -6.735 1.00 10.70 H new ATOM 0 HB3 ALA A 14 27.091 -3.060 -5.379 1.00 10.70 H new ATOM 197 N GLN A 15 25.401 -5.849 -5.937 1.00 11.67 N ATOM 198 CA GLN A 15 25.461 -7.218 -5.418 1.00 12.40 C ATOM 199 C GLN A 15 26.443 -7.328 -4.214 1.00 12.25 C ATOM 200 O GLN A 15 26.197 -8.047 -3.249 1.00 12.05 O ATOM 201 CB GLN A 15 25.860 -8.180 -6.541 1.00 13.27 C ATOM 202 CG GLN A 15 27.207 -7.863 -7.177 1.00 13.75 C ATOM 203 CD GLN A 15 27.596 -8.818 -8.275 1.00 14.68 C ATOM 204 OE1 GLN A 15 27.220 -9.978 -8.266 1.00 15.07 O ATOM 205 NE2 GLN A 15 28.371 -8.341 -9.220 1.00 15.18 N ATOM 0 H GLN A 15 25.662 -5.765 -6.920 1.00 11.67 H new ATOM 0 HA GLN A 15 24.472 -7.492 -5.052 1.00 12.40 H new ATOM 0 HB2 GLN A 15 25.887 -9.195 -6.144 1.00 13.27 H new ATOM 0 HB3 GLN A 15 25.091 -8.160 -7.313 1.00 13.27 H new ATOM 0 HG2 GLN A 15 27.180 -6.851 -7.580 1.00 13.75 H new ATOM 0 HG3 GLN A 15 27.976 -7.878 -6.405 1.00 13.75 H new ATOM 0 HE21 GLN A 15 28.665 -7.365 -9.194 1.00 15.18 H new ATOM 0 HE22 GLN A 15 28.679 -8.946 -9.981 1.00 15.18 H new ATOM 214 N LYS A 16 27.516 -6.556 -4.268 1.00 12.53 N ATOM 215 CA LYS A 16 28.556 -6.569 -3.233 1.00 12.66 C ATOM 216 C LYS A 16 28.222 -5.581 -2.109 1.00 11.86 C ATOM 217 O LYS A 16 29.101 -5.150 -1.360 1.00 12.01 O ATOM 218 CB LYS A 16 29.910 -6.182 -3.865 1.00 12.80 C ATOM 219 CG LYS A 16 30.377 -7.120 -4.985 1.00 13.55 C ATOM 220 CD LYS A 16 31.645 -6.607 -5.662 1.00 14.34 C ATOM 221 CE LYS A 16 32.120 -7.550 -6.768 1.00 15.06 C ATOM 222 NZ LYS A 16 32.584 -8.858 -6.235 1.00 15.42 N ATOM 0 H LYS A 16 27.698 -5.900 -5.028 1.00 12.53 H new ATOM 0 HA LYS A 16 28.611 -7.572 -2.809 1.00 12.66 H new ATOM 0 HB2 LYS A 16 29.836 -5.170 -4.263 1.00 12.80 H new ATOM 0 HB3 LYS A 16 30.670 -6.162 -3.084 1.00 12.80 H new ATOM 0 HG2 LYS A 16 30.560 -8.113 -4.575 1.00 13.55 H new ATOM 0 HG3 LYS A 16 29.585 -7.223 -5.727 1.00 13.55 H new ATOM 0 HD2 LYS A 16 31.458 -5.619 -6.082 1.00 14.34 H new ATOM 0 HD3 LYS A 16 32.433 -6.493 -4.918 1.00 14.34 H new ATOM 0 HE2 LYS A 16 31.307 -7.716 -7.475 1.00 15.06 H new ATOM 0 HE3 LYS A 16 32.931 -7.077 -7.321 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 33.020 -9.410 -7.001 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 33.283 -8.698 -5.482 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 31.773 -9.383 -5.849 1.00 15.42 H new ATOM 236 N SER A 17 26.968 -5.222 -1.981 1.00 11.21 N ATOM 237 CA SER A 17 26.577 -4.255 -0.966 1.00 10.50 C ATOM 238 C SER A 17 26.042 -4.952 0.297 1.00 10.66 C ATOM 239 O SER A 17 26.059 -4.364 1.370 1.00 10.17 O ATOM 240 CB SER A 17 25.536 -3.277 -1.548 1.00 10.42 C ATOM 241 OG SER A 17 25.211 -2.243 -0.644 1.00 10.72 O ATOM 0 H SER A 17 26.203 -5.576 -2.556 1.00 11.21 H new ATOM 0 HA SER A 17 27.460 -3.689 -0.669 1.00 10.50 H new ATOM 0 HB2 SER A 17 25.924 -2.843 -2.470 1.00 10.42 H new ATOM 0 HB3 SER A 17 24.631 -3.826 -1.810 1.00 10.42 H new ATOM 0 HG SER A 17 24.550 -1.646 -1.053 1.00 10.72 H new ATOM 247 N ALA A 18 25.653 -6.225 0.145 1.00 11.52 N ATOM 248 CA ALA A 18 24.970 -7.045 1.190 1.00 11.99 C ATOM 249 C ALA A 18 25.536 -6.919 2.616 1.00 11.45 C ATOM 250 O ALA A 18 24.791 -6.991 3.569 1.00 11.42 O ATOM 251 CB ALA A 18 24.924 -8.504 0.772 1.00 13.14 C ATOM 0 H ALA A 18 25.802 -6.738 -0.724 1.00 11.52 H new ATOM 0 HA ALA A 18 23.965 -6.628 1.251 1.00 11.99 H new ATOM 0 HB1 ALA A 18 24.423 -9.088 1.544 1.00 13.14 H new ATOM 0 HB2 ALA A 18 24.376 -8.597 -0.166 1.00 13.14 H new ATOM 0 HB3 ALA A 18 25.940 -8.876 0.637 1.00 13.14 H new ATOM 257 N MET A 19 26.835 -6.752 2.765 1.00 11.20 N ATOM 258 CA MET A 19 27.411 -6.609 4.107 1.00 10.90 C ATOM 259 C MET A 19 28.224 -5.325 4.248 1.00 9.99 C ATOM 260 O MET A 19 28.151 -4.633 5.274 1.00 9.63 O ATOM 261 CB MET A 19 28.260 -7.836 4.486 1.00 11.94 C ATOM 262 CG MET A 19 27.464 -9.131 4.598 1.00 12.49 C ATOM 263 SD MET A 19 28.497 -10.556 4.993 1.00 13.40 S ATOM 264 CE MET A 19 29.625 -10.567 3.603 1.00 14.08 C ATOM 0 H MET A 19 27.507 -6.711 1.999 1.00 11.20 H new ATOM 0 HA MET A 19 26.575 -6.545 4.803 1.00 10.90 H new ATOM 0 HB2 MET A 19 29.044 -7.967 3.740 1.00 11.94 H new ATOM 0 HB3 MET A 19 28.755 -7.642 5.438 1.00 11.94 H new ATOM 0 HG2 MET A 19 26.701 -9.017 5.368 1.00 12.49 H new ATOM 0 HG3 MET A 19 26.944 -9.315 3.658 1.00 12.49 H new ATOM 0 HE1 MET A 19 29.815 -11.596 3.297 1.00 14.08 H new ATOM 0 HE2 MET A 19 29.184 -10.016 2.772 1.00 14.08 H new ATOM 0 HE3 MET A 19 30.564 -10.096 3.893 1.00 14.08 H new ATOM 274 N ALA A 20 28.972 -4.991 3.214 1.00 9.77 N ATOM 275 CA ALA A 20 29.837 -3.828 3.236 1.00 9.13 C ATOM 276 C ALA A 20 29.039 -2.518 3.353 1.00 8.17 C ATOM 277 O ALA A 20 29.365 -1.649 4.177 1.00 7.84 O ATOM 278 CB ALA A 20 30.696 -3.816 1.995 1.00 9.45 C ATOM 0 H ALA A 20 28.997 -5.515 2.339 1.00 9.77 H new ATOM 0 HA ALA A 20 30.471 -3.894 4.120 1.00 9.13 H new ATOM 0 HB1 ALA A 20 31.347 -2.942 2.011 1.00 9.45 H new ATOM 0 HB2 ALA A 20 31.304 -4.720 1.965 1.00 9.45 H new ATOM 0 HB3 ALA A 20 30.059 -3.778 1.112 1.00 9.45 H new ATOM 284 N ARG A 21 27.984 -2.396 2.556 1.00 7.98 N ATOM 285 CA ARG A 21 27.162 -1.184 2.503 1.00 7.29 C ATOM 286 C ARG A 21 25.720 -1.480 2.905 1.00 7.26 C ATOM 287 O ARG A 21 24.811 -0.738 2.549 1.00 7.10 O ATOM 288 CB ARG A 21 27.180 -0.539 1.090 1.00 7.43 C ATOM 289 CG ARG A 21 28.412 0.308 0.706 1.00 8.11 C ATOM 290 CD ARG A 21 29.730 -0.457 0.653 1.00 8.51 C ATOM 291 NE ARG A 21 29.699 -1.576 -0.300 1.00 8.99 N ATOM 292 CZ ARG A 21 30.570 -1.755 -1.318 1.00 9.65 C ATOM 293 NH1 ARG A 21 31.439 -0.807 -1.643 1.00 9.90 N ATOM 294 NH2 ARG A 21 30.553 -2.884 -2.005 1.00 10.29 N ATOM 0 H ARG A 21 27.670 -3.134 1.925 1.00 7.98 H new ATOM 0 HA ARG A 21 27.595 -0.479 3.213 1.00 7.29 H new ATOM 0 HB2 ARG A 21 27.079 -1.338 0.355 1.00 7.43 H new ATOM 0 HB3 ARG A 21 26.296 0.092 0.998 1.00 7.43 H new ATOM 0 HG2 ARG A 21 28.233 0.761 -0.269 1.00 8.11 H new ATOM 0 HG3 ARG A 21 28.511 1.123 1.423 1.00 8.11 H new ATOM 0 HD2 ARG A 21 30.532 0.228 0.377 1.00 8.51 H new ATOM 0 HD3 ARG A 21 29.964 -0.838 1.647 1.00 8.51 H new ATOM 0 HE ARG A 21 28.962 -2.272 -0.184 1.00 8.99 H new ATOM 0 HH11 ARG A 21 31.455 0.070 -1.122 1.00 9.90 H new ATOM 0 HH12 ARG A 21 32.091 -0.955 -2.413 1.00 9.90 H new ATOM 0 HH21 ARG A 21 29.884 -3.616 -1.766 1.00 10.29 H new ATOM 0 HH22 ARG A 21 31.209 -3.023 -2.774 1.00 10.29 H new ATOM 308 N ALA A 22 25.529 -2.536 3.694 1.00 7.72 N ATOM 309 CA ALA A 22 24.185 -2.929 4.173 1.00 8.05 C ATOM 310 C ALA A 22 23.525 -1.796 4.982 1.00 7.56 C ATOM 311 O ALA A 22 22.321 -1.598 4.955 1.00 7.73 O ATOM 312 CB ALA A 22 24.279 -4.182 5.025 1.00 9.15 C ATOM 0 H ALA A 22 26.282 -3.141 4.021 1.00 7.72 H new ATOM 0 HA ALA A 22 23.565 -3.130 3.300 1.00 8.05 H new ATOM 0 HB1 ALA A 22 23.284 -4.462 5.372 1.00 9.15 H new ATOM 0 HB2 ALA A 22 24.698 -4.995 4.432 1.00 9.15 H new ATOM 0 HB3 ALA A 22 24.922 -3.991 5.884 1.00 9.15 H new ATOM 318 N LYS A 23 24.340 -1.048 5.680 1.00 7.27 N ATOM 319 CA LYS A 23 23.845 0.049 6.489 1.00 7.12 C ATOM 320 C LYS A 23 23.826 1.317 5.724 1.00 6.46 C ATOM 321 O LYS A 23 23.506 2.361 6.277 1.00 6.78 O ATOM 322 CB LYS A 23 24.701 0.250 7.708 1.00 8.04 C ATOM 323 CG LYS A 23 24.693 -0.926 8.675 1.00 8.77 C ATOM 324 CD LYS A 23 23.298 -1.117 9.272 1.00 9.62 C ATOM 325 CE LYS A 23 23.246 -2.284 10.237 1.00 10.49 C ATOM 326 NZ LYS A 23 23.537 -3.562 9.575 1.00 11.12 N ATOM 0 H LYS A 23 25.352 -1.174 5.708 1.00 7.27 H new ATOM 0 HA LYS A 23 22.830 -0.215 6.787 1.00 7.12 H new ATOM 0 HB2 LYS A 23 25.727 0.439 7.391 1.00 8.04 H new ATOM 0 HB3 LYS A 23 24.361 1.142 8.235 1.00 8.04 H new ATOM 0 HG2 LYS A 23 25.001 -1.834 8.156 1.00 8.77 H new ATOM 0 HG3 LYS A 23 25.416 -0.754 9.472 1.00 8.77 H new ATOM 0 HD2 LYS A 23 22.998 -0.206 9.789 1.00 9.62 H new ATOM 0 HD3 LYS A 23 22.579 -1.279 8.469 1.00 9.62 H new ATOM 0 HE2 LYS A 23 23.964 -2.121 11.041 1.00 10.49 H new ATOM 0 HE3 LYS A 23 22.258 -2.331 10.696 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 23.311 -4.346 10.219 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 22.962 -3.645 8.713 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 24.545 -3.601 9.323 1.00 11.12 H new ATOM 340 N ASN A 24 24.179 1.256 4.473 1.00 5.86 N ATOM 341 CA ASN A 24 24.205 2.455 3.721 1.00 5.58 C ATOM 342 C ASN A 24 22.824 2.703 3.181 1.00 5.25 C ATOM 343 O ASN A 24 22.256 3.770 3.384 1.00 5.71 O ATOM 344 CB ASN A 24 25.222 2.423 2.572 1.00 5.59 C ATOM 345 CG ASN A 24 25.298 3.757 1.835 1.00 6.03 C ATOM 346 OD1 ASN A 24 26.096 4.621 2.179 1.00 6.46 O ATOM 347 ND2 ASN A 24 24.483 3.929 0.821 1.00 6.29 N ATOM 0 H ASN A 24 24.445 0.409 3.971 1.00 5.86 H new ATOM 0 HA ASN A 24 24.520 3.262 4.383 1.00 5.58 H new ATOM 0 HB2 ASN A 24 26.206 2.171 2.967 1.00 5.59 H new ATOM 0 HB3 ASN A 24 24.949 1.636 1.869 1.00 5.59 H new ATOM 0 HD21 ASN A 24 24.502 4.802 0.294 1.00 6.29 H new ATOM 0 HD22 ASN A 24 23.830 3.190 0.560 1.00 6.29 H new ATOM 354 N LEU A 25 22.289 1.687 2.488 1.00 4.87 N ATOM 355 CA LEU A 25 20.951 1.754 1.933 1.00 4.97 C ATOM 356 C LEU A 25 20.593 0.453 1.246 1.00 4.70 C ATOM 357 O LEU A 25 21.210 0.081 0.256 1.00 4.86 O ATOM 358 CB LEU A 25 20.816 2.901 0.922 1.00 5.36 C ATOM 359 CG LEU A 25 19.417 3.124 0.342 1.00 6.04 C ATOM 360 CD1 LEU A 25 18.424 3.449 1.458 1.00 6.81 C ATOM 361 CD2 LEU A 25 19.443 4.239 -0.698 1.00 6.58 C ATOM 0 H LEU A 25 22.775 0.809 2.304 1.00 4.87 H new ATOM 0 HA LEU A 25 20.269 1.934 2.764 1.00 4.97 H new ATOM 0 HB2 LEU A 25 21.139 3.824 1.404 1.00 5.36 H new ATOM 0 HB3 LEU A 25 21.504 2.715 0.097 1.00 5.36 H new ATOM 0 HG LEU A 25 19.093 2.206 -0.149 1.00 6.04 H new ATOM 0 HD11 LEU A 25 17.434 3.605 1.030 1.00 6.81 H new ATOM 0 HD12 LEU A 25 18.387 2.620 2.165 1.00 6.81 H new ATOM 0 HD13 LEU A 25 18.742 4.354 1.976 1.00 6.81 H new ATOM 0 HD21 LEU A 25 18.441 4.385 -1.100 1.00 6.58 H new ATOM 0 HD22 LEU A 25 19.785 5.163 -0.232 1.00 6.58 H new ATOM 0 HD23 LEU A 25 20.122 3.967 -1.506 1.00 6.58 H new ATOM 373 N GLU A 26 19.628 -0.232 1.798 1.00 4.76 N ATOM 374 CA GLU A 26 19.073 -1.446 1.189 1.00 4.96 C ATOM 375 C GLU A 26 17.644 -1.187 0.760 1.00 4.83 C ATOM 376 O GLU A 26 17.098 -1.919 -0.061 1.00 4.95 O ATOM 377 CB GLU A 26 19.059 -2.632 2.174 1.00 5.70 C ATOM 378 CG GLU A 26 20.413 -3.098 2.675 1.00 6.48 C ATOM 379 CD GLU A 26 20.305 -4.327 3.563 1.00 7.27 C ATOM 380 OE1 GLU A 26 20.011 -4.176 4.773 1.00 7.70 O ATOM 381 OE2 GLU A 26 20.476 -5.460 3.054 1.00 7.68 O ATOM 0 H GLU A 26 19.193 0.023 2.684 1.00 4.76 H new ATOM 0 HA GLU A 26 19.707 -1.699 0.339 1.00 4.96 H new ATOM 0 HB2 GLU A 26 18.451 -2.356 3.035 1.00 5.70 H new ATOM 0 HB3 GLU A 26 18.563 -3.474 1.691 1.00 5.70 H new ATOM 0 HG2 GLU A 26 21.056 -3.322 1.824 1.00 6.48 H new ATOM 0 HG3 GLU A 26 20.890 -2.291 3.231 1.00 6.48 H new ATOM 388 N LYS A 27 17.051 -0.101 1.306 1.00 5.08 N ATOM 389 CA LYS A 27 15.621 0.188 1.155 1.00 5.48 C ATOM 390 C LYS A 27 14.776 -0.892 1.828 1.00 5.57 C ATOM 391 O LYS A 27 14.407 -0.746 2.996 1.00 6.04 O ATOM 392 CB LYS A 27 15.166 0.438 -0.311 1.00 6.20 C ATOM 393 CG LYS A 27 15.495 1.818 -0.881 1.00 6.72 C ATOM 394 CD LYS A 27 15.029 1.928 -2.342 1.00 7.40 C ATOM 395 CE LYS A 27 15.079 3.362 -2.867 1.00 8.14 C ATOM 396 NZ LYS A 27 16.418 3.978 -2.776 1.00 8.86 N ATOM 0 H LYS A 27 17.554 0.592 1.860 1.00 5.08 H new ATOM 0 HA LYS A 27 15.456 1.137 1.665 1.00 5.48 H new ATOM 0 HB2 LYS A 27 15.626 -0.317 -0.948 1.00 6.20 H new ATOM 0 HB3 LYS A 27 14.088 0.289 -0.368 1.00 6.20 H new ATOM 0 HG2 LYS A 27 15.012 2.589 -0.281 1.00 6.72 H new ATOM 0 HG3 LYS A 27 16.569 1.994 -0.822 1.00 6.72 H new ATOM 0 HD2 LYS A 27 15.656 1.293 -2.968 1.00 7.40 H new ATOM 0 HD3 LYS A 27 14.010 1.550 -2.424 1.00 7.40 H new ATOM 0 HE2 LYS A 27 14.754 3.371 -3.907 1.00 8.14 H new ATOM 0 HE3 LYS A 27 14.369 3.970 -2.306 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 16.401 4.743 -2.072 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 17.112 3.259 -2.489 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 16.685 4.367 -3.703 1.00 8.86 H new ATOM 410 N ALA A 28 14.522 -1.975 1.085 1.00 5.50 N ATOM 411 CA ALA A 28 13.744 -3.164 1.518 1.00 5.97 C ATOM 412 C ALA A 28 13.368 -3.952 0.283 1.00 6.23 C ATOM 413 O ALA A 28 13.689 -5.124 0.136 1.00 6.48 O ATOM 414 CB ALA A 28 12.454 -2.785 2.259 1.00 6.27 C ATOM 0 H ALA A 28 14.861 -2.061 0.127 1.00 5.50 H new ATOM 0 HA ALA A 28 14.364 -3.741 2.204 1.00 5.97 H new ATOM 0 HB1 ALA A 28 11.924 -3.691 2.553 1.00 6.27 H new ATOM 0 HB2 ALA A 28 12.702 -2.205 3.148 1.00 6.27 H new ATOM 0 HB3 ALA A 28 11.819 -2.190 1.603 1.00 6.27 H new ATOM 420 N LYS A 29 12.700 -3.276 -0.611 1.00 6.51 N ATOM 421 CA LYS A 29 12.261 -3.849 -1.848 1.00 7.02 C ATOM 422 C LYS A 29 12.986 -3.187 -3.012 1.00 6.93 C ATOM 423 O LYS A 29 13.199 -1.983 -3.003 1.00 7.10 O ATOM 424 CB LYS A 29 10.724 -3.763 -1.983 1.00 7.79 C ATOM 425 CG LYS A 29 9.974 -4.705 -1.032 1.00 8.36 C ATOM 426 CD LYS A 29 8.454 -4.570 -1.147 1.00 9.07 C ATOM 427 CE LYS A 29 7.940 -3.267 -0.536 1.00 9.70 C ATOM 428 NZ LYS A 29 8.127 -3.233 0.942 1.00 10.01 N ATOM 0 H LYS A 29 12.443 -2.296 -0.496 1.00 6.51 H new ATOM 0 HA LYS A 29 12.513 -4.909 -1.862 1.00 7.02 H new ATOM 0 HB2 LYS A 29 10.407 -2.738 -1.792 1.00 7.79 H new ATOM 0 HB3 LYS A 29 10.443 -3.997 -3.010 1.00 7.79 H new ATOM 0 HG2 LYS A 29 10.261 -5.735 -1.246 1.00 8.36 H new ATOM 0 HG3 LYS A 29 10.277 -4.496 -0.006 1.00 8.36 H new ATOM 0 HD2 LYS A 29 8.166 -4.615 -2.197 1.00 9.07 H new ATOM 0 HD3 LYS A 29 7.978 -5.415 -0.649 1.00 9.07 H new ATOM 0 HE2 LYS A 29 8.463 -2.424 -0.987 1.00 9.70 H new ATOM 0 HE3 LYS A 29 6.882 -3.149 -0.771 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 7.550 -2.468 1.347 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 7.832 -4.143 1.350 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 9.129 -3.064 1.161 1.00 10.01 H new ATOM 442 N ALA A 30 13.349 -3.992 -4.004 1.00 7.00 N ATOM 443 CA ALA A 30 14.149 -3.540 -5.163 1.00 7.22 C ATOM 444 C ALA A 30 13.384 -2.585 -6.074 1.00 7.17 C ATOM 445 O ALA A 30 13.976 -1.866 -6.873 1.00 7.27 O ATOM 446 CB ALA A 30 14.636 -4.749 -5.960 1.00 7.43 C ATOM 0 H ALA A 30 13.102 -4.981 -4.038 1.00 7.00 H new ATOM 0 HA ALA A 30 15.001 -2.986 -4.768 1.00 7.22 H new ATOM 0 HB1 ALA A 30 15.225 -4.410 -6.812 1.00 7.43 H new ATOM 0 HB2 ALA A 30 15.253 -5.381 -5.321 1.00 7.43 H new ATOM 0 HB3 ALA A 30 13.778 -5.320 -6.316 1.00 7.43 H new ATOM 452 N ALA A 31 12.089 -2.590 -5.967 1.00 7.30 N ATOM 453 CA ALA A 31 11.267 -1.739 -6.789 1.00 7.49 C ATOM 454 C ALA A 31 10.188 -1.089 -5.943 1.00 7.26 C ATOM 455 O ALA A 31 10.191 0.127 -5.720 1.00 7.29 O ATOM 456 CB ALA A 31 10.661 -2.540 -7.949 1.00 8.16 C ATOM 0 H ALA A 31 11.571 -3.178 -5.314 1.00 7.30 H new ATOM 0 HA ALA A 31 11.884 -0.950 -7.218 1.00 7.49 H new ATOM 0 HB1 ALA A 31 10.043 -1.883 -8.561 1.00 8.16 H new ATOM 0 HB2 ALA A 31 11.461 -2.958 -8.560 1.00 8.16 H new ATOM 0 HB3 ALA A 31 10.048 -3.349 -7.551 1.00 8.16 H new ATOM 462 N GLY A 32 9.285 -1.905 -5.446 1.00 7.31 N ATOM 463 CA GLY A 32 8.227 -1.418 -4.630 1.00 7.37 C ATOM 464 C GLY A 32 7.079 -2.369 -4.631 1.00 7.39 C ATOM 465 O GLY A 32 7.268 -3.567 -4.408 1.00 7.69 O ATOM 0 H GLY A 32 9.274 -2.913 -5.602 1.00 7.31 H new ATOM 0 HA2 GLY A 32 8.585 -1.273 -3.611 1.00 7.37 H new ATOM 0 HA3 GLY A 32 7.899 -0.444 -4.994 1.00 7.37 H new ATOM 469 N LYS A 33 5.916 -1.860 -4.899 1.00 7.33 N ATOM 470 CA LYS A 33 4.704 -2.657 -4.938 1.00 7.58 C ATOM 471 C LYS A 33 3.696 -1.959 -5.824 1.00 7.81 C ATOM 472 O LYS A 33 2.924 -2.588 -6.532 1.00 8.09 O ATOM 473 CB LYS A 33 4.142 -2.842 -3.507 1.00 7.70 C ATOM 474 CG LYS A 33 2.876 -3.692 -3.411 1.00 7.71 C ATOM 475 CD LYS A 33 3.089 -5.080 -3.986 1.00 8.10 C ATOM 476 CE LYS A 33 1.860 -5.956 -3.818 1.00 8.68 C ATOM 477 NZ LYS A 33 1.525 -6.194 -2.393 1.00 8.86 N ATOM 0 H LYS A 33 5.768 -0.871 -5.100 1.00 7.33 H new ATOM 0 HA LYS A 33 4.919 -3.646 -5.343 1.00 7.58 H new ATOM 0 HB2 LYS A 33 4.914 -3.297 -2.887 1.00 7.70 H new ATOM 0 HB3 LYS A 33 3.933 -1.859 -3.086 1.00 7.70 H new ATOM 0 HG2 LYS A 33 2.570 -3.773 -2.368 1.00 7.71 H new ATOM 0 HG3 LYS A 33 2.064 -3.198 -3.944 1.00 7.71 H new ATOM 0 HD2 LYS A 33 3.337 -5.001 -5.045 1.00 8.10 H new ATOM 0 HD3 LYS A 33 3.940 -5.550 -3.494 1.00 8.10 H new ATOM 0 HE2 LYS A 33 1.011 -5.485 -4.314 1.00 8.68 H new ATOM 0 HE3 LYS A 33 2.028 -6.912 -4.313 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 0.840 -6.974 -2.323 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 2.389 -6.444 -1.870 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 1.111 -5.332 -1.985 1.00 8.86 H new ATOM 491 N GLY A 34 3.731 -0.649 -5.778 1.00 7.92 N ATOM 492 CA GLY A 34 2.874 0.168 -6.559 1.00 8.28 C ATOM 493 C GLY A 34 2.900 1.538 -5.987 1.00 8.23 C ATOM 494 O GLY A 34 3.875 1.886 -5.323 1.00 8.16 O ATOM 0 H GLY A 34 4.372 -0.125 -5.182 1.00 7.92 H new ATOM 0 HA2 GLY A 34 3.204 0.182 -7.598 1.00 8.28 H new ATOM 0 HA3 GLY A 34 1.859 -0.229 -6.552 1.00 8.28 H new ATOM 498 N SER A 35 1.843 2.287 -6.203 1.00 8.52 N ATOM 499 CA SER A 35 1.687 3.631 -5.673 1.00 8.67 C ATOM 500 C SER A 35 2.640 4.630 -6.341 1.00 8.96 C ATOM 501 O SER A 35 3.767 4.842 -5.890 1.00 9.53 O ATOM 502 CB SER A 35 1.800 3.651 -4.126 1.00 8.87 C ATOM 503 OG SER A 35 1.552 4.937 -3.590 1.00 8.86 O ATOM 0 H SER A 35 1.049 1.977 -6.763 1.00 8.52 H new ATOM 0 HA SER A 35 0.678 3.959 -5.921 1.00 8.67 H new ATOM 0 HB2 SER A 35 1.091 2.939 -3.702 1.00 8.87 H new ATOM 0 HB3 SER A 35 2.797 3.322 -3.832 1.00 8.87 H new ATOM 0 HG SER A 35 1.632 4.905 -2.614 1.00 8.86 H new ATOM 509 N GLN A 36 2.190 5.209 -7.427 1.00 8.75 N ATOM 510 CA GLN A 36 2.953 6.197 -8.144 1.00 9.17 C ATOM 511 C GLN A 36 2.002 7.338 -8.403 1.00 8.70 C ATOM 512 O GLN A 36 0.904 7.112 -8.914 1.00 8.58 O ATOM 513 CB GLN A 36 3.523 5.571 -9.452 1.00 10.09 C ATOM 514 CG GLN A 36 4.494 6.456 -10.279 1.00 10.66 C ATOM 515 CD GLN A 36 3.826 7.630 -10.999 1.00 11.45 C ATOM 516 OE1 GLN A 36 2.681 7.556 -11.400 1.00 11.91 O ATOM 517 NE2 GLN A 36 4.542 8.714 -11.149 1.00 11.81 N ATOM 0 H GLN A 36 1.279 5.006 -7.839 1.00 8.75 H new ATOM 0 HA GLN A 36 3.817 6.557 -7.586 1.00 9.17 H new ATOM 0 HB2 GLN A 36 4.041 4.648 -9.191 1.00 10.09 H new ATOM 0 HB3 GLN A 36 2.685 5.295 -10.092 1.00 10.09 H new ATOM 0 HG2 GLN A 36 5.266 6.845 -9.615 1.00 10.66 H new ATOM 0 HG3 GLN A 36 4.995 5.831 -11.018 1.00 10.66 H new ATOM 0 HE21 GLN A 36 5.500 8.744 -10.801 1.00 11.81 H new ATOM 0 HE22 GLN A 36 4.142 9.529 -11.614 1.00 11.81 H new ATOM 526 N LEU A 37 2.387 8.540 -7.960 1.00 8.63 N ATOM 527 CA LEU A 37 1.551 9.771 -8.052 1.00 8.33 C ATOM 528 C LEU A 37 0.331 9.688 -7.087 1.00 7.59 C ATOM 529 O LEU A 37 -0.441 10.641 -6.933 1.00 7.53 O ATOM 530 CB LEU A 37 1.117 10.036 -9.518 1.00 8.94 C ATOM 531 CG LEU A 37 0.340 11.327 -9.809 1.00 9.62 C ATOM 532 CD1 LEU A 37 1.176 12.556 -9.477 1.00 10.08 C ATOM 533 CD2 LEU A 37 -0.090 11.353 -11.262 1.00 9.94 C ATOM 0 H LEU A 37 3.294 8.701 -7.521 1.00 8.63 H new ATOM 0 HA LEU A 37 2.154 10.622 -7.735 1.00 8.33 H new ATOM 0 HB2 LEU A 37 2.013 10.037 -10.138 1.00 8.94 H new ATOM 0 HB3 LEU A 37 0.505 9.195 -9.844 1.00 8.94 H new ATOM 0 HG LEU A 37 -0.547 11.347 -9.175 1.00 9.62 H new ATOM 0 HD11 LEU A 37 0.601 13.456 -9.693 1.00 10.08 H new ATOM 0 HD12 LEU A 37 1.442 12.540 -8.420 1.00 10.08 H new ATOM 0 HD13 LEU A 37 2.084 12.552 -10.080 1.00 10.08 H new ATOM 0 HD21 LEU A 37 -0.641 12.272 -11.462 1.00 9.94 H new ATOM 0 HD22 LEU A 37 0.791 11.311 -11.903 1.00 9.94 H new ATOM 0 HD23 LEU A 37 -0.729 10.495 -11.468 1.00 9.94 H new ATOM 545 N GLU A 38 0.216 8.545 -6.442 1.00 7.28 N ATOM 546 CA GLU A 38 -0.815 8.225 -5.468 1.00 6.85 C ATOM 547 C GLU A 38 -0.576 8.943 -4.156 1.00 6.29 C ATOM 548 O GLU A 38 0.489 9.534 -3.933 1.00 6.53 O ATOM 549 CB GLU A 38 -0.783 6.713 -5.232 1.00 7.02 C ATOM 550 CG GLU A 38 -1.290 5.876 -6.388 1.00 7.23 C ATOM 551 CD GLU A 38 -2.787 5.750 -6.388 1.00 7.58 C ATOM 552 OE1 GLU A 38 -3.443 6.701 -6.907 1.00 7.82 O ATOM 553 OE2 GLU A 38 -3.313 4.764 -5.896 1.00 7.86 O ATOM 0 H GLU A 38 0.869 7.775 -6.588 1.00 7.28 H new ATOM 0 HA GLU A 38 -1.784 8.546 -5.851 1.00 6.85 H new ATOM 0 HB2 GLU A 38 0.242 6.416 -5.010 1.00 7.02 H new ATOM 0 HB3 GLU A 38 -1.379 6.485 -4.349 1.00 7.02 H new ATOM 0 HG2 GLU A 38 -0.965 6.324 -7.327 1.00 7.23 H new ATOM 0 HG3 GLU A 38 -0.844 4.883 -6.337 1.00 7.23 H new ATOM 560 N ALA A 39 -1.556 8.870 -3.286 1.00 5.86 N ATOM 561 CA ALA A 39 -1.465 9.473 -1.980 1.00 5.57 C ATOM 562 C ALA A 39 -0.876 8.459 -1.004 1.00 5.31 C ATOM 563 O ALA A 39 -0.744 7.268 -1.325 1.00 5.56 O ATOM 564 CB ALA A 39 -2.835 9.927 -1.510 1.00 5.92 C ATOM 0 H ALA A 39 -2.438 8.391 -3.465 1.00 5.86 H new ATOM 0 HA ALA A 39 -0.818 10.349 -2.028 1.00 5.57 H new ATOM 0 HB1 ALA A 39 -2.749 10.380 -0.522 1.00 5.92 H new ATOM 0 HB2 ALA A 39 -3.236 10.659 -2.211 1.00 5.92 H new ATOM 0 HB3 ALA A 39 -3.505 9.069 -1.458 1.00 5.92 H new ATOM 570 N ASN A 40 -0.520 8.929 0.173 1.00 5.21 N ATOM 571 CA ASN A 40 0.061 8.086 1.212 1.00 5.30 C ATOM 572 C ASN A 40 -0.911 6.997 1.674 1.00 4.90 C ATOM 573 O ASN A 40 -1.949 7.263 2.267 1.00 4.87 O ATOM 574 CB ASN A 40 0.600 8.928 2.397 1.00 5.95 C ATOM 575 CG ASN A 40 -0.414 9.909 2.964 1.00 6.36 C ATOM 576 OD1 ASN A 40 -0.503 11.037 2.509 1.00 6.54 O ATOM 577 ND2 ASN A 40 -1.163 9.501 3.971 1.00 6.88 N ATOM 0 H ASN A 40 -0.623 9.907 0.443 1.00 5.21 H new ATOM 0 HA ASN A 40 0.916 7.575 0.771 1.00 5.30 H new ATOM 0 HB2 ASN A 40 0.924 8.255 3.191 1.00 5.95 H new ATOM 0 HB3 ASN A 40 1.481 9.480 2.068 1.00 5.95 H new ATOM 0 HD21 ASN A 40 -1.841 10.136 4.392 1.00 6.88 H new ATOM 0 HD22 ASN A 40 -1.064 8.551 4.328 1.00 6.88 H new ATOM 584 N LYS A 41 -0.560 5.760 1.389 1.00 4.91 N ATOM 585 CA LYS A 41 -1.392 4.648 1.715 1.00 4.79 C ATOM 586 C LYS A 41 -0.680 3.738 2.702 1.00 5.11 C ATOM 587 O LYS A 41 -1.075 2.613 2.927 1.00 5.52 O ATOM 588 CB LYS A 41 -1.834 3.910 0.426 1.00 5.30 C ATOM 589 CG LYS A 41 -0.710 3.319 -0.436 1.00 6.03 C ATOM 590 CD LYS A 41 -1.269 2.674 -1.725 1.00 6.55 C ATOM 591 CE LYS A 41 -1.879 3.717 -2.685 1.00 7.33 C ATOM 592 NZ LYS A 41 -2.424 3.103 -3.934 1.00 7.95 N ATOM 0 H LYS A 41 0.313 5.510 0.924 1.00 4.91 H new ATOM 0 HA LYS A 41 -2.302 4.999 2.202 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -2.510 3.103 0.708 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -2.407 4.605 -0.188 1.00 5.30 H new ATOM 0 HG2 LYS A 41 0.000 4.103 -0.698 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -0.163 2.572 0.139 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -0.470 2.137 -2.236 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -2.029 1.939 -1.461 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -2.676 4.255 -2.172 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -1.118 4.451 -2.948 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -2.790 3.851 -4.557 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -1.668 2.583 -4.424 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -3.194 2.447 -3.691 1.00 7.95 H new ATOM 606 N LYS A 42 0.355 4.288 3.354 1.00 5.29 N ATOM 607 CA LYS A 42 1.104 3.548 4.391 1.00 6.01 C ATOM 608 C LYS A 42 0.377 3.704 5.734 1.00 6.11 C ATOM 609 O LYS A 42 0.872 3.305 6.776 1.00 6.74 O ATOM 610 CB LYS A 42 2.559 4.079 4.587 1.00 6.24 C ATOM 611 CG LYS A 42 3.521 4.058 3.381 1.00 6.53 C ATOM 612 CD LYS A 42 3.175 5.087 2.316 1.00 7.13 C ATOM 613 CE LYS A 42 4.245 5.121 1.217 1.00 7.68 C ATOM 614 NZ LYS A 42 5.581 5.525 1.746 1.00 8.17 N ATOM 0 H LYS A 42 0.694 5.235 3.186 1.00 5.29 H new ATOM 0 HA LYS A 42 1.157 2.510 4.062 1.00 6.01 H new ATOM 0 HB2 LYS A 42 2.491 5.109 4.939 1.00 6.24 H new ATOM 0 HB3 LYS A 42 3.018 3.499 5.387 1.00 6.24 H new ATOM 0 HG2 LYS A 42 4.537 4.237 3.733 1.00 6.53 H new ATOM 0 HG3 LYS A 42 3.509 3.064 2.933 1.00 6.53 H new ATOM 0 HD2 LYS A 42 2.206 4.850 1.878 1.00 7.13 H new ATOM 0 HD3 LYS A 42 3.086 6.073 2.773 1.00 7.13 H new ATOM 0 HE2 LYS A 42 4.321 4.137 0.755 1.00 7.68 H new ATOM 0 HE3 LYS A 42 3.939 5.817 0.436 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 6.183 5.845 0.961 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 5.464 6.299 2.430 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 6.029 4.712 2.216 1.00 8.17 H new ATOM 628 N ALA A 43 -0.804 4.284 5.672 1.00 5.71 N ATOM 629 CA ALA A 43 -1.596 4.598 6.848 1.00 5.93 C ATOM 630 C ALA A 43 -2.441 3.418 7.289 1.00 5.58 C ATOM 631 O ALA A 43 -3.091 3.480 8.325 1.00 5.78 O ATOM 632 CB ALA A 43 -2.506 5.765 6.526 1.00 5.86 C ATOM 0 H ALA A 43 -1.248 4.555 4.794 1.00 5.71 H new ATOM 0 HA ALA A 43 -0.915 4.847 7.662 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -3.106 6.011 7.402 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -1.904 6.629 6.245 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -3.163 5.496 5.699 1.00 5.86 H new ATOM 638 N MET A 44 -2.417 2.353 6.483 1.00 5.27 N ATOM 639 CA MET A 44 -3.256 1.171 6.695 1.00 5.14 C ATOM 640 C MET A 44 -4.712 1.547 6.463 1.00 4.41 C ATOM 641 O MET A 44 -5.460 1.840 7.389 1.00 4.57 O ATOM 642 CB MET A 44 -3.059 0.503 8.077 1.00 5.83 C ATOM 643 CG MET A 44 -1.641 0.010 8.370 1.00 6.40 C ATOM 644 SD MET A 44 -1.491 -0.761 9.999 1.00 6.97 S ATOM 645 CE MET A 44 0.246 -1.197 10.017 1.00 7.62 C ATOM 0 H MET A 44 -1.814 2.286 5.663 1.00 5.27 H new ATOM 0 HA MET A 44 -2.945 0.416 5.973 1.00 5.14 H new ATOM 0 HB2 MET A 44 -3.345 1.216 8.850 1.00 5.83 H new ATOM 0 HB3 MET A 44 -3.743 -0.342 8.154 1.00 5.83 H new ATOM 0 HG2 MET A 44 -1.345 -0.707 7.605 1.00 6.40 H new ATOM 0 HG3 MET A 44 -0.949 0.849 8.305 1.00 6.40 H new ATOM 0 HE1 MET A 44 0.489 -1.683 10.962 1.00 7.62 H new ATOM 0 HE2 MET A 44 0.459 -1.878 9.193 1.00 7.62 H new ATOM 0 HE3 MET A 44 0.849 -0.295 9.907 1.00 7.62 H new ATOM 655 N SER A 45 -5.057 1.612 5.204 1.00 3.91 N ATOM 656 CA SER A 45 -6.347 2.021 4.746 1.00 3.31 C ATOM 657 C SER A 45 -7.491 1.005 4.994 1.00 3.15 C ATOM 658 O SER A 45 -8.185 1.054 6.023 1.00 3.30 O ATOM 659 CB SER A 45 -6.211 2.393 3.279 1.00 3.27 C ATOM 660 OG SER A 45 -5.367 1.451 2.630 1.00 3.82 O ATOM 0 H SER A 45 -4.419 1.371 4.446 1.00 3.91 H new ATOM 0 HA SER A 45 -6.660 2.878 5.342 1.00 3.31 H new ATOM 0 HB2 SER A 45 -7.192 2.407 2.804 1.00 3.27 H new ATOM 0 HB3 SER A 45 -5.796 3.396 3.184 1.00 3.27 H new ATOM 0 HG SER A 45 -5.897 0.912 2.007 1.00 3.82 H new ATOM 666 N ILE A 46 -7.666 0.098 4.065 1.00 3.06 N ATOM 667 CA ILE A 46 -8.764 -0.863 4.110 1.00 2.90 C ATOM 668 C ILE A 46 -8.251 -2.278 3.859 1.00 3.39 C ATOM 669 O ILE A 46 -7.626 -2.518 2.868 1.00 3.76 O ATOM 670 CB ILE A 46 -9.814 -0.511 3.009 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.435 0.886 3.245 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.899 -1.582 2.901 1.00 2.38 C ATOM 673 CD1 ILE A 46 -11.400 1.310 2.162 1.00 2.53 C ATOM 0 H ILE A 46 -7.057 -0.003 3.253 1.00 3.06 H new ATOM 0 HA ILE A 46 -9.221 -0.815 5.099 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.283 -0.483 2.057 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.954 0.886 4.203 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -9.635 1.623 3.316 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.611 -1.302 2.125 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -10.442 -2.538 2.646 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -11.419 -1.671 3.855 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -11.796 2.299 2.394 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -10.881 1.343 1.204 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.221 0.595 2.105 1.00 2.53 H new ATOM 685 N GLN A 47 -8.526 -3.191 4.770 1.00 3.62 N ATOM 686 CA GLN A 47 -8.131 -4.600 4.612 1.00 4.26 C ATOM 687 C GLN A 47 -9.193 -5.355 3.830 1.00 4.05 C ATOM 688 O GLN A 47 -10.391 -5.178 4.049 1.00 3.59 O ATOM 689 CB GLN A 47 -7.942 -5.258 5.980 1.00 4.89 C ATOM 690 CG GLN A 47 -7.642 -6.766 5.942 1.00 5.73 C ATOM 691 CD GLN A 47 -7.732 -7.370 7.329 1.00 6.34 C ATOM 692 OE1 GLN A 47 -7.442 -6.710 8.337 1.00 6.66 O ATOM 693 NE2 GLN A 47 -8.163 -8.605 7.399 1.00 6.79 N ATOM 0 H GLN A 47 -9.025 -2.992 5.637 1.00 3.62 H new ATOM 0 HA GLN A 47 -7.187 -4.634 4.067 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -7.127 -4.754 6.499 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -8.844 -5.097 6.571 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -8.347 -7.265 5.277 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -6.646 -6.933 5.532 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -8.391 -9.115 6.545 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -8.270 -9.057 8.307 1.00 6.79 H new ATOM 702 N CYS A 48 -8.734 -6.176 2.929 1.00 4.51 N ATOM 703 CA CYS A 48 -9.585 -6.992 2.109 1.00 4.51 C ATOM 704 C CYS A 48 -10.093 -8.188 2.873 1.00 4.78 C ATOM 705 O CYS A 48 -9.318 -8.942 3.489 1.00 5.43 O ATOM 706 CB CYS A 48 -8.846 -7.446 0.883 1.00 5.18 C ATOM 707 SG CYS A 48 -9.852 -8.385 -0.282 1.00 5.33 S ATOM 0 H CYS A 48 -7.739 -6.300 2.740 1.00 4.51 H new ATOM 0 HA CYS A 48 -10.441 -6.388 1.810 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -8.440 -6.572 0.373 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -7.998 -8.059 1.190 1.00 5.18 H new ATOM 0 HG CYS A 48 -9.087 -8.907 -1.194 1.00 5.33 H new ATOM 713 N LYS A 49 -11.384 -8.359 2.778 1.00 4.37 N ATOM 714 CA LYS A 49 -12.153 -9.399 3.436 1.00 4.60 C ATOM 715 C LYS A 49 -11.647 -10.809 3.032 1.00 5.45 C ATOM 716 O LYS A 49 -11.756 -11.758 3.803 1.00 5.91 O ATOM 717 CB LYS A 49 -13.620 -9.177 2.996 1.00 4.03 C ATOM 718 CG LYS A 49 -14.743 -9.907 3.761 1.00 4.13 C ATOM 719 CD LYS A 49 -14.760 -11.429 3.621 1.00 4.80 C ATOM 720 CE LYS A 49 -15.100 -11.885 2.207 1.00 5.08 C ATOM 721 NZ LYS A 49 -15.223 -13.356 2.114 1.00 5.64 N ATOM 0 H LYS A 49 -11.967 -7.745 2.209 1.00 4.37 H new ATOM 0 HA LYS A 49 -12.053 -9.346 4.520 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -13.823 -8.108 3.052 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -13.697 -9.461 1.947 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -14.657 -9.659 4.819 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -15.702 -9.518 3.419 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -13.785 -11.827 3.902 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -15.487 -11.846 4.318 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -16.035 -11.422 1.892 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -14.327 -11.542 1.520 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -15.455 -13.624 1.136 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -14.323 -13.798 2.390 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -15.978 -13.682 2.751 1.00 5.64 H new ATOM 735 N VAL A 50 -11.079 -10.928 1.831 1.00 5.76 N ATOM 736 CA VAL A 50 -10.628 -12.224 1.321 1.00 6.62 C ATOM 737 C VAL A 50 -9.536 -12.851 2.214 1.00 7.31 C ATOM 738 O VAL A 50 -9.470 -14.065 2.351 1.00 7.94 O ATOM 739 CB VAL A 50 -10.142 -12.158 -0.161 1.00 6.99 C ATOM 740 CG1 VAL A 50 -11.173 -11.482 -1.044 1.00 6.73 C ATOM 741 CG2 VAL A 50 -8.774 -11.502 -0.304 1.00 7.56 C ATOM 0 H VAL A 50 -10.921 -10.146 1.195 1.00 5.76 H new ATOM 0 HA VAL A 50 -11.507 -12.869 1.349 1.00 6.62 H new ATOM 0 HB VAL A 50 -10.027 -13.188 -0.498 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -10.808 -11.450 -2.071 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -12.107 -12.043 -1.008 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -11.346 -10.466 -0.689 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -8.487 -11.484 -1.355 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -8.818 -10.482 0.078 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -8.037 -12.070 0.263 1.00 7.56 H new ATOM 751 N CYS A 51 -8.718 -12.010 2.851 1.00 7.22 N ATOM 752 CA CYS A 51 -7.655 -12.499 3.690 1.00 7.91 C ATOM 753 C CYS A 51 -7.170 -11.410 4.643 1.00 7.66 C ATOM 754 O CYS A 51 -7.608 -11.337 5.792 1.00 7.62 O ATOM 755 CB CYS A 51 -6.497 -13.077 2.841 1.00 8.65 C ATOM 756 SG CYS A 51 -5.101 -13.736 3.785 1.00 9.28 S ATOM 0 H CYS A 51 -8.782 -10.994 2.794 1.00 7.22 H new ATOM 0 HA CYS A 51 -8.048 -13.314 4.298 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -6.894 -13.871 2.208 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -6.129 -12.294 2.178 1.00 8.65 H new ATOM 0 HG CYS A 51 -4.200 -14.191 2.966 1.00 9.28 H new ATOM 762 N MET A 52 -6.303 -10.534 4.156 1.00 7.53 N ATOM 763 CA MET A 52 -5.712 -9.510 5.035 1.00 7.36 C ATOM 764 C MET A 52 -5.072 -8.413 4.175 1.00 7.19 C ATOM 765 O MET A 52 -4.203 -7.668 4.624 1.00 7.51 O ATOM 766 CB MET A 52 -4.588 -10.163 5.842 1.00 8.14 C ATOM 767 CG MET A 52 -4.073 -9.381 7.051 1.00 8.25 C ATOM 768 SD MET A 52 -5.211 -9.358 8.450 1.00 9.18 S ATOM 769 CE MET A 52 -5.351 -11.112 8.827 1.00 9.44 C ATOM 0 H MET A 52 -5.993 -10.502 3.185 1.00 7.53 H new ATOM 0 HA MET A 52 -6.483 -9.092 5.682 1.00 7.36 H new ATOM 0 HB2 MET A 52 -4.937 -11.136 6.188 1.00 8.14 H new ATOM 0 HB3 MET A 52 -3.748 -10.346 5.171 1.00 8.14 H new ATOM 0 HG2 MET A 52 -3.126 -9.813 7.374 1.00 8.25 H new ATOM 0 HG3 MET A 52 -3.868 -8.355 6.746 1.00 8.25 H new ATOM 0 HE1 MET A 52 -5.680 -11.237 9.859 1.00 9.44 H new ATOM 0 HE2 MET A 52 -6.077 -11.571 8.156 1.00 9.44 H new ATOM 0 HE3 MET A 52 -4.381 -11.591 8.694 1.00 9.44 H new ATOM 779 N GLN A 53 -5.517 -8.306 2.946 1.00 6.77 N ATOM 780 CA GLN A 53 -4.850 -7.414 1.988 1.00 6.78 C ATOM 781 C GLN A 53 -5.358 -6.021 2.151 1.00 5.99 C ATOM 782 O GLN A 53 -6.036 -5.750 3.112 1.00 5.51 O ATOM 783 CB GLN A 53 -5.040 -7.918 0.573 1.00 7.00 C ATOM 784 CG GLN A 53 -4.685 -9.368 0.448 1.00 7.73 C ATOM 785 CD GLN A 53 -3.277 -9.680 0.959 1.00 8.54 C ATOM 786 OE1 GLN A 53 -3.184 -10.015 2.234 1.00 9.11 O flip ATOM 787 NE2 GLN A 53 -2.303 -9.613 0.219 1.00 8.65 N flip ATOM 0 H GLN A 53 -6.323 -8.810 2.576 1.00 6.77 H new ATOM 0 HA GLN A 53 -3.779 -7.407 2.190 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -6.077 -7.770 0.270 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -4.422 -7.332 -0.108 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -5.409 -9.964 1.004 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -4.762 -9.667 -0.597 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -2.423 -9.350 -0.759 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -1.372 -9.820 0.581 1.00 8.65 H new ATOM 796 N THR A 54 -5.069 -5.145 1.245 1.00 5.92 N ATOM 797 CA THR A 54 -5.472 -3.800 1.450 1.00 5.23 C ATOM 798 C THR A 54 -5.958 -3.113 0.149 1.00 5.04 C ATOM 799 O THR A 54 -5.671 -3.571 -0.967 1.00 5.63 O ATOM 800 CB THR A 54 -4.323 -2.992 2.129 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.731 -1.655 2.452 1.00 4.93 O ATOM 802 CG2 THR A 54 -3.110 -2.944 1.222 1.00 5.93 C ATOM 0 H THR A 54 -4.567 -5.333 0.377 1.00 5.92 H new ATOM 0 HA THR A 54 -6.333 -3.816 2.118 1.00 5.23 H new ATOM 0 HB THR A 54 -4.070 -3.504 3.058 1.00 5.45 H new ATOM 0 HG1 THR A 54 -5.654 -1.665 2.781 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.315 -2.377 1.707 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.764 -3.958 1.024 1.00 5.93 H new ATOM 0 HG23 THR A 54 -3.378 -2.462 0.282 1.00 5.93 H new ATOM 810 N PHE A 55 -6.693 -2.034 0.347 1.00 4.34 N ATOM 811 CA PHE A 55 -7.257 -1.182 -0.662 1.00 4.27 C ATOM 812 C PHE A 55 -7.115 0.232 -0.190 1.00 3.93 C ATOM 813 O PHE A 55 -7.081 0.473 1.003 1.00 3.54 O ATOM 814 CB PHE A 55 -8.739 -1.468 -0.865 1.00 3.91 C ATOM 815 CG PHE A 55 -9.038 -2.785 -1.500 1.00 4.29 C ATOM 816 CD1 PHE A 55 -8.967 -2.956 -2.868 1.00 4.83 C ATOM 817 CD2 PHE A 55 -9.402 -3.865 -0.711 1.00 4.24 C ATOM 818 CE1 PHE A 55 -9.244 -4.179 -3.426 1.00 5.27 C ATOM 819 CE2 PHE A 55 -9.672 -5.085 -1.269 1.00 4.63 C ATOM 820 CZ PHE A 55 -9.580 -5.200 -2.726 1.00 5.13 C ATOM 0 H PHE A 55 -6.923 -1.715 1.288 1.00 4.34 H new ATOM 0 HA PHE A 55 -6.739 -1.356 -1.605 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.239 -1.424 0.102 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -9.167 -0.677 -1.481 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -8.693 -2.125 -3.501 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -9.474 -3.742 0.360 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -9.176 -4.286 -4.499 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -9.943 -5.932 -0.657 1.00 4.63 H new ATOM 0 HZ PHE A 55 -9.794 -6.142 -3.210 1.00 5.13 H new ATOM 830 N ILE A 56 -7.049 1.161 -1.100 1.00 4.24 N ATOM 831 CA ILE A 56 -6.866 2.569 -0.761 1.00 4.10 C ATOM 832 C ILE A 56 -8.135 3.188 -0.168 1.00 3.68 C ATOM 833 O ILE A 56 -9.242 2.959 -0.652 1.00 3.75 O ATOM 834 CB ILE A 56 -6.376 3.380 -1.995 1.00 4.78 C ATOM 835 CG1 ILE A 56 -6.188 4.886 -1.685 1.00 4.73 C ATOM 836 CG2 ILE A 56 -7.293 3.183 -3.205 1.00 5.23 C ATOM 837 CD1 ILE A 56 -5.131 5.182 -0.646 1.00 4.53 C ATOM 0 H ILE A 56 -7.119 0.978 -2.101 1.00 4.24 H new ATOM 0 HA ILE A 56 -6.095 2.616 0.008 1.00 4.10 H new ATOM 0 HB ILE A 56 -5.394 2.981 -2.247 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -5.929 5.405 -2.608 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -7.139 5.296 -1.345 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -6.916 3.766 -4.046 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -7.316 2.128 -3.476 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -8.301 3.515 -2.956 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -5.065 6.259 -0.490 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -5.397 4.695 0.292 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -4.167 4.806 -0.990 1.00 4.53 H new ATOM 849 N CYS A 57 -7.960 3.956 0.888 1.00 3.44 N ATOM 850 CA CYS A 57 -9.057 4.657 1.492 1.00 3.38 C ATOM 851 C CYS A 57 -9.405 5.900 0.682 1.00 3.93 C ATOM 852 O CYS A 57 -9.012 7.017 1.018 1.00 4.21 O ATOM 853 CB CYS A 57 -8.760 5.002 2.969 1.00 3.28 C ATOM 854 SG CYS A 57 -10.078 5.881 3.848 1.00 4.03 S ATOM 0 H CYS A 57 -7.059 4.106 1.343 1.00 3.44 H new ATOM 0 HA CYS A 57 -9.927 4.000 1.488 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -8.546 4.077 3.504 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -7.855 5.609 3.007 1.00 3.28 H new ATOM 0 HG CYS A 57 -11.234 5.473 3.417 1.00 4.03 H new ATOM 860 N THR A 58 -10.034 5.678 -0.457 1.00 4.31 N ATOM 861 CA THR A 58 -10.576 6.737 -1.247 1.00 5.03 C ATOM 862 C THR A 58 -12.006 7.027 -0.731 1.00 5.13 C ATOM 863 O THR A 58 -12.678 7.971 -1.148 1.00 5.79 O ATOM 864 CB THR A 58 -10.608 6.300 -2.730 1.00 5.61 C ATOM 865 OG1 THR A 58 -9.304 5.816 -3.086 1.00 6.01 O ATOM 866 CG2 THR A 58 -10.946 7.467 -3.630 1.00 5.89 C ATOM 0 H THR A 58 -10.177 4.748 -0.851 1.00 4.31 H new ATOM 0 HA THR A 58 -9.968 7.638 -1.169 1.00 5.03 H new ATOM 0 HB THR A 58 -11.367 5.528 -2.855 1.00 5.61 H new ATOM 0 HG1 THR A 58 -9.305 5.532 -4.024 1.00 6.01 H new ATOM 0 HG21 THR A 58 -10.962 7.134 -4.668 1.00 5.89 H new ATOM 0 HG22 THR A 58 -11.925 7.862 -3.361 1.00 5.89 H new ATOM 0 HG23 THR A 58 -10.194 8.247 -3.511 1.00 5.89 H new ATOM 874 N THR A 59 -12.439 6.196 0.195 1.00 4.66 N ATOM 875 CA THR A 59 -13.716 6.311 0.830 1.00 4.98 C ATOM 876 C THR A 59 -13.576 5.790 2.257 1.00 4.60 C ATOM 877 O THR A 59 -12.897 4.798 2.476 1.00 4.34 O ATOM 878 CB THR A 59 -14.779 5.495 0.065 1.00 5.47 C ATOM 879 OG1 THR A 59 -14.867 5.988 -1.282 1.00 6.19 O ATOM 880 CG2 THR A 59 -16.141 5.612 0.723 1.00 5.90 C ATOM 0 H THR A 59 -11.890 5.404 0.529 1.00 4.66 H new ATOM 0 HA THR A 59 -14.039 7.352 0.835 1.00 4.98 H new ATOM 0 HB THR A 59 -14.481 4.447 0.074 1.00 5.47 H new ATOM 0 HG1 THR A 59 -15.539 5.473 -1.775 1.00 6.19 H new ATOM 0 HG21 THR A 59 -16.868 5.026 0.161 1.00 5.90 H new ATOM 0 HG22 THR A 59 -16.085 5.237 1.745 1.00 5.90 H new ATOM 0 HG23 THR A 59 -16.450 6.657 0.737 1.00 5.90 H new ATOM 888 N SER A 60 -14.191 6.473 3.200 1.00 4.93 N ATOM 889 CA SER A 60 -14.089 6.126 4.600 1.00 5.08 C ATOM 890 C SER A 60 -14.860 4.824 4.935 1.00 4.91 C ATOM 891 O SER A 60 -14.281 3.738 4.983 1.00 5.44 O ATOM 892 CB SER A 60 -14.591 7.317 5.429 1.00 5.82 C ATOM 893 OG SER A 60 -15.913 7.726 4.987 1.00 6.47 O ATOM 0 H SER A 60 -14.777 7.287 3.015 1.00 4.93 H new ATOM 0 HA SER A 60 -13.047 5.922 4.847 1.00 5.08 H new ATOM 0 HB2 SER A 60 -14.622 7.045 6.484 1.00 5.82 H new ATOM 0 HB3 SER A 60 -13.896 8.151 5.335 1.00 5.82 H new ATOM 0 HG SER A 60 -16.218 8.485 5.527 1.00 6.47 H new ATOM 899 N GLU A 61 -16.158 4.967 5.113 1.00 4.39 N ATOM 900 CA GLU A 61 -17.078 3.886 5.429 1.00 4.24 C ATOM 901 C GLU A 61 -18.469 4.474 5.576 1.00 4.81 C ATOM 902 O GLU A 61 -19.445 3.875 5.188 1.00 4.86 O ATOM 903 CB GLU A 61 -16.664 3.145 6.712 1.00 4.06 C ATOM 904 CG GLU A 61 -17.619 2.045 7.147 1.00 4.21 C ATOM 905 CD GLU A 61 -17.174 1.366 8.416 1.00 4.27 C ATOM 906 OE1 GLU A 61 -17.379 1.933 9.515 1.00 4.34 O ATOM 907 OE2 GLU A 61 -16.628 0.255 8.333 1.00 4.60 O ATOM 0 H GLU A 61 -16.621 5.873 5.039 1.00 4.39 H new ATOM 0 HA GLU A 61 -17.061 3.153 4.623 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -15.676 2.711 6.562 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -16.574 3.870 7.521 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -18.613 2.468 7.294 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -17.702 1.304 6.352 1.00 4.21 H new ATOM 914 N VAL A 62 -18.554 5.661 6.119 1.00 5.34 N ATOM 915 CA VAL A 62 -19.824 6.331 6.219 1.00 6.05 C ATOM 916 C VAL A 62 -20.313 6.778 4.843 1.00 6.40 C ATOM 917 O VAL A 62 -21.501 6.678 4.533 1.00 6.81 O ATOM 918 CB VAL A 62 -19.778 7.500 7.230 1.00 6.66 C ATOM 919 CG1 VAL A 62 -21.082 8.274 7.223 1.00 7.23 C ATOM 920 CG2 VAL A 62 -19.520 6.946 8.620 1.00 7.09 C ATOM 0 H VAL A 62 -17.762 6.181 6.497 1.00 5.34 H new ATOM 0 HA VAL A 62 -20.550 5.616 6.607 1.00 6.05 H new ATOM 0 HB VAL A 62 -18.976 8.180 6.944 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -21.024 9.091 7.942 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -21.259 8.680 6.227 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -21.902 7.609 7.495 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -19.486 7.766 9.338 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -20.321 6.258 8.892 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -18.568 6.416 8.629 1.00 7.09 H new ATOM 930 N LYS A 63 -19.393 7.218 4.006 1.00 6.35 N ATOM 931 CA LYS A 63 -19.760 7.631 2.668 1.00 6.86 C ATOM 932 C LYS A 63 -20.096 6.370 1.826 1.00 6.61 C ATOM 933 O LYS A 63 -20.897 6.414 0.902 1.00 7.11 O ATOM 934 CB LYS A 63 -18.643 8.528 2.038 1.00 7.01 C ATOM 935 CG LYS A 63 -19.011 9.274 0.721 1.00 7.83 C ATOM 936 CD LYS A 63 -19.113 8.361 -0.501 1.00 8.08 C ATOM 937 CE LYS A 63 -19.660 9.113 -1.714 1.00 8.93 C ATOM 938 NZ LYS A 63 -18.805 10.254 -2.118 1.00 9.36 N ATOM 0 H LYS A 63 -18.400 7.298 4.225 1.00 6.35 H new ATOM 0 HA LYS A 63 -20.654 8.255 2.692 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -18.344 9.270 2.778 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -17.772 7.902 1.844 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -19.963 9.787 0.859 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -18.261 10.041 0.528 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -18.130 7.954 -0.736 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -19.762 7.515 -0.272 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -19.755 8.422 -2.551 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -20.662 9.478 -1.488 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -19.178 10.674 -2.993 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -18.803 10.970 -1.364 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -17.834 9.920 -2.281 1.00 9.36 H new ATOM 952 N CYS A 64 -19.523 5.238 2.175 1.00 5.90 N ATOM 953 CA CYS A 64 -19.867 4.039 1.454 1.00 5.63 C ATOM 954 C CYS A 64 -21.140 3.454 1.995 1.00 5.60 C ATOM 955 O CYS A 64 -21.848 2.782 1.288 1.00 5.71 O ATOM 956 CB CYS A 64 -18.745 3.028 1.400 1.00 4.97 C ATOM 957 SG CYS A 64 -18.187 2.383 2.974 1.00 4.95 S ATOM 0 H CYS A 64 -18.842 5.126 2.926 1.00 5.90 H new ATOM 0 HA CYS A 64 -20.035 4.324 0.415 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -19.068 2.191 0.781 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -17.894 3.487 0.897 1.00 4.97 H new ATOM 0 HG CYS A 64 -19.024 2.729 3.906 1.00 4.95 H new ATOM 963 N ARG A 65 -21.422 3.756 3.256 1.00 5.62 N ATOM 964 CA ARG A 65 -22.646 3.381 3.917 1.00 5.84 C ATOM 965 C ARG A 65 -23.860 3.931 3.160 1.00 6.60 C ATOM 966 O ARG A 65 -24.816 3.206 2.887 1.00 6.69 O ATOM 967 CB ARG A 65 -22.629 3.888 5.369 1.00 5.99 C ATOM 968 CG ARG A 65 -23.952 3.795 6.057 1.00 5.98 C ATOM 969 CD ARG A 65 -23.885 4.307 7.484 1.00 6.32 C ATOM 970 NE ARG A 65 -25.214 4.347 8.104 1.00 6.70 N ATOM 971 CZ ARG A 65 -25.469 4.638 9.380 1.00 7.13 C ATOM 972 NH1 ARG A 65 -24.469 4.855 10.252 1.00 7.25 N ATOM 973 NH2 ARG A 65 -26.729 4.675 9.794 1.00 7.69 N ATOM 0 H ARG A 65 -20.784 4.281 3.854 1.00 5.62 H new ATOM 0 HA ARG A 65 -22.725 2.294 3.927 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -21.895 3.315 5.935 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -22.298 4.927 5.377 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -24.692 4.369 5.500 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -24.288 2.758 6.059 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -23.228 3.666 8.071 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -23.448 5.305 7.493 1.00 6.32 H new ATOM 0 HE ARG A 65 -26.013 4.134 7.507 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -23.499 4.798 9.941 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -24.680 5.077 11.225 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -27.487 4.482 9.139 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -26.940 4.896 10.767 1.00 7.69 H new ATOM 987 N GLU A 66 -23.810 5.215 2.804 1.00 7.20 N ATOM 988 CA GLU A 66 -24.913 5.827 2.056 1.00 8.03 C ATOM 989 C GLU A 66 -25.019 5.193 0.659 1.00 8.03 C ATOM 990 O GLU A 66 -26.107 4.985 0.130 1.00 8.42 O ATOM 991 CB GLU A 66 -24.759 7.369 1.960 1.00 8.67 C ATOM 992 CG GLU A 66 -23.497 7.841 1.246 1.00 8.45 C ATOM 993 CD GLU A 66 -23.410 9.350 1.088 1.00 9.17 C ATOM 994 OE1 GLU A 66 -23.911 9.880 0.063 1.00 9.24 O ATOM 995 OE2 GLU A 66 -22.832 10.012 1.957 1.00 9.78 O ATOM 0 H GLU A 66 -23.034 5.843 3.015 1.00 7.20 H new ATOM 0 HA GLU A 66 -25.838 5.634 2.600 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -25.627 7.775 1.441 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -24.767 7.785 2.968 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -22.625 7.492 1.800 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -23.454 7.379 0.260 1.00 8.45 H new ATOM 1002 N HIS A 67 -23.869 4.858 0.090 1.00 7.64 N ATOM 1003 CA HIS A 67 -23.796 4.241 -1.231 1.00 7.74 C ATOM 1004 C HIS A 67 -24.238 2.772 -1.179 1.00 7.19 C ATOM 1005 O HIS A 67 -24.672 2.209 -2.180 1.00 7.42 O ATOM 1006 CB HIS A 67 -22.352 4.371 -1.779 1.00 7.65 C ATOM 1007 CG HIS A 67 -22.099 3.728 -3.125 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -22.225 4.400 -4.324 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -21.681 2.474 -3.445 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -21.896 3.593 -5.314 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -21.558 2.422 -4.811 1.00 8.28 N ATOM 0 H HIS A 67 -22.960 5.005 0.529 1.00 7.64 H new ATOM 0 HA HIS A 67 -24.479 4.759 -1.904 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -22.105 5.430 -1.851 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -21.667 3.932 -1.053 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -21.483 1.669 -2.753 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -21.902 3.849 -6.363 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -21.255 1.610 -5.349 1.00 8.28 H new ATOM 1020 N ALA A 68 -24.126 2.187 -0.026 1.00 6.53 N ATOM 1021 CA ALA A 68 -24.435 0.799 0.184 1.00 6.01 C ATOM 1022 C ALA A 68 -25.916 0.585 0.197 1.00 6.43 C ATOM 1023 O ALA A 68 -26.428 -0.196 -0.587 1.00 6.43 O ATOM 1024 CB ALA A 68 -23.828 0.356 1.484 1.00 5.28 C ATOM 0 H ALA A 68 -23.811 2.669 0.816 1.00 6.53 H new ATOM 0 HA ALA A 68 -24.020 0.208 -0.632 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -24.057 -0.696 1.653 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -22.747 0.491 1.445 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -24.239 0.952 2.299 1.00 5.28 H new ATOM 1030 N GLU A 69 -26.596 1.286 1.081 1.00 6.88 N ATOM 1031 CA GLU A 69 -28.054 1.201 1.217 1.00 7.44 C ATOM 1032 C GLU A 69 -28.755 1.561 -0.075 1.00 8.10 C ATOM 1033 O GLU A 69 -29.784 0.974 -0.426 1.00 8.50 O ATOM 1034 CB GLU A 69 -28.526 2.123 2.339 1.00 7.93 C ATOM 1035 CG GLU A 69 -27.980 1.743 3.705 1.00 7.64 C ATOM 1036 CD GLU A 69 -28.503 0.403 4.180 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -28.185 -0.619 3.567 1.00 7.78 O ATOM 1038 OE2 GLU A 69 -29.213 0.351 5.179 1.00 7.77 O ATOM 0 H GLU A 69 -26.160 1.937 1.734 1.00 6.88 H new ATOM 0 HA GLU A 69 -28.308 0.169 1.460 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -28.227 3.145 2.108 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -29.615 2.110 2.375 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -26.891 1.711 3.663 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -28.249 2.513 4.428 1.00 7.64 H new ATOM 1045 N ALA A 70 -28.168 2.488 -0.785 1.00 8.29 N ATOM 1046 CA ALA A 70 -28.684 2.977 -2.035 1.00 8.98 C ATOM 1047 C ALA A 70 -28.423 2.015 -3.194 1.00 8.74 C ATOM 1048 O ALA A 70 -28.979 2.181 -4.284 1.00 9.31 O ATOM 1049 CB ALA A 70 -28.013 4.282 -2.332 1.00 9.41 C ATOM 0 H ALA A 70 -27.296 2.935 -0.502 1.00 8.29 H new ATOM 0 HA ALA A 70 -29.764 3.085 -1.939 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -28.387 4.676 -3.277 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -28.227 4.991 -1.533 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -26.936 4.130 -2.403 1.00 9.41 H new ATOM 1055 N LYS A 71 -27.572 1.029 -2.977 1.00 7.94 N ATOM 1056 CA LYS A 71 -27.205 0.102 -4.033 1.00 7.72 C ATOM 1057 C LYS A 71 -27.268 -1.334 -3.597 1.00 7.00 C ATOM 1058 O LYS A 71 -28.294 -1.984 -3.768 1.00 7.10 O ATOM 1059 CB LYS A 71 -25.828 0.444 -4.613 1.00 7.70 C ATOM 1060 CG LYS A 71 -25.790 1.759 -5.383 1.00 8.55 C ATOM 1061 CD LYS A 71 -26.675 1.675 -6.649 1.00 9.28 C ATOM 1062 CE LYS A 71 -26.798 3.011 -7.373 1.00 10.04 C ATOM 1063 NZ LYS A 71 -27.517 4.013 -6.562 1.00 10.32 N ATOM 0 H LYS A 71 -27.122 0.849 -2.080 1.00 7.94 H new ATOM 0 HA LYS A 71 -27.949 0.219 -4.821 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -25.104 0.490 -3.800 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -25.513 -0.362 -5.275 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -26.137 2.571 -4.744 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -24.763 1.992 -5.665 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -26.257 0.935 -7.331 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -27.669 1.325 -6.370 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -25.803 3.386 -7.615 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -27.322 2.865 -8.318 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -28.187 4.531 -7.165 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -28.037 3.534 -5.799 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -26.834 4.681 -6.150 1.00 10.32 H new ATOM 1077 N HIS A 72 -26.181 -1.806 -2.974 1.00 6.33 N ATOM 1078 CA HIS A 72 -26.025 -3.217 -2.558 1.00 5.62 C ATOM 1079 C HIS A 72 -26.503 -4.233 -3.606 1.00 5.65 C ATOM 1080 O HIS A 72 -27.424 -5.012 -3.343 1.00 5.60 O ATOM 1081 CB HIS A 72 -26.630 -3.513 -1.159 1.00 5.47 C ATOM 1082 CG HIS A 72 -28.088 -3.157 -0.942 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -28.653 -2.047 -0.427 1.00 6.44 N flip ATOM 1084 CD2 HIS A 72 -29.141 -3.994 -1.266 1.00 6.81 C flip ATOM 1085 CE1 HIS A 72 -30.006 -2.216 -0.442 1.00 7.21 C flip ATOM 1086 NE2 HIS A 72 -30.280 -3.403 -0.953 1.00 7.47 N flip ATOM 0 H HIS A 72 -25.378 -1.222 -2.740 1.00 6.33 H new ATOM 0 HA HIS A 72 -24.947 -3.353 -2.474 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -26.509 -4.577 -0.958 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -26.038 -2.979 -0.416 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -28.156 -1.224 -0.086 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -29.046 -4.976 -1.706 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -30.734 -1.498 -0.094 1.00 7.21 H new ATOM 1095 N PRO A 73 -25.898 -4.221 -4.813 1.00 5.90 N ATOM 1096 CA PRO A 73 -26.297 -5.126 -5.894 1.00 6.06 C ATOM 1097 C PRO A 73 -26.027 -6.580 -5.530 1.00 5.49 C ATOM 1098 O PRO A 73 -26.935 -7.387 -5.456 1.00 5.49 O ATOM 1099 CB PRO A 73 -25.415 -4.698 -7.084 1.00 6.60 C ATOM 1100 CG PRO A 73 -24.918 -3.335 -6.724 1.00 6.81 C ATOM 1101 CD PRO A 73 -24.816 -3.316 -5.230 1.00 6.21 C ATOM 0 HA PRO A 73 -27.364 -5.064 -6.108 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -24.589 -5.393 -7.233 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -25.986 -4.678 -8.012 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -23.950 -3.138 -7.184 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -25.602 -2.564 -7.079 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -23.842 -3.666 -4.887 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -24.953 -2.312 -4.829 1.00 6.21 H new ATOM 1109 N LYS A 74 -24.758 -6.898 -5.284 1.00 5.12 N ATOM 1110 CA LYS A 74 -24.358 -8.265 -4.932 1.00 4.75 C ATOM 1111 C LYS A 74 -22.948 -8.282 -4.356 1.00 4.46 C ATOM 1112 O LYS A 74 -22.319 -9.328 -4.281 1.00 4.75 O ATOM 1113 CB LYS A 74 -24.415 -9.174 -6.178 1.00 5.23 C ATOM 1114 CG LYS A 74 -23.607 -8.683 -7.398 1.00 5.74 C ATOM 1115 CD LYS A 74 -23.680 -9.689 -8.544 1.00 6.36 C ATOM 1116 CE LYS A 74 -22.884 -9.243 -9.775 1.00 6.91 C ATOM 1117 NZ LYS A 74 -23.373 -7.961 -10.338 1.00 7.32 N ATOM 0 H LYS A 74 -23.987 -6.231 -5.321 1.00 5.12 H new ATOM 0 HA LYS A 74 -25.052 -8.638 -4.179 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -24.054 -10.164 -5.900 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -25.457 -9.287 -6.476 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -23.993 -7.719 -7.730 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -22.567 -8.528 -7.111 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -23.301 -10.652 -8.201 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -24.723 -9.838 -8.825 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -21.833 -9.139 -9.505 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -22.942 -10.017 -10.540 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -22.894 -7.773 -11.242 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -24.399 -8.020 -10.496 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -23.169 -7.189 -9.671 1.00 7.32 H new ATOM 1131 N ALA A 75 -22.503 -7.110 -3.878 1.00 4.19 N ATOM 1132 CA ALA A 75 -21.123 -6.890 -3.430 1.00 4.02 C ATOM 1133 C ALA A 75 -20.182 -7.048 -4.611 1.00 4.43 C ATOM 1134 O ALA A 75 -19.846 -6.066 -5.260 1.00 4.52 O ATOM 1135 CB ALA A 75 -20.720 -7.775 -2.254 1.00 3.36 C ATOM 0 H ALA A 75 -23.096 -6.284 -3.792 1.00 4.19 H new ATOM 0 HA ALA A 75 -21.054 -5.871 -3.048 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -19.689 -7.561 -1.974 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -21.375 -7.574 -1.406 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -20.808 -8.823 -2.540 1.00 3.36 H new ATOM 1141 N ASP A 76 -19.838 -8.292 -4.922 1.00 5.01 N ATOM 1142 CA ASP A 76 -19.011 -8.668 -6.096 1.00 5.63 C ATOM 1143 C ASP A 76 -17.679 -7.926 -6.171 1.00 5.81 C ATOM 1144 O ASP A 76 -16.681 -8.377 -5.599 1.00 5.63 O ATOM 1145 CB ASP A 76 -19.834 -8.512 -7.372 1.00 6.39 C ATOM 1146 CG ASP A 76 -19.090 -8.835 -8.639 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -18.772 -10.016 -8.858 1.00 6.80 O ATOM 1148 OD2 ASP A 76 -18.870 -7.911 -9.440 1.00 6.82 O ATOM 0 H ASP A 76 -20.125 -9.095 -4.363 1.00 5.01 H new ATOM 0 HA ASP A 76 -18.733 -9.715 -5.979 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -20.710 -9.158 -7.305 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -20.198 -7.486 -7.431 1.00 6.39 H new ATOM 1153 N VAL A 77 -17.672 -6.767 -6.805 1.00 6.30 N ATOM 1154 CA VAL A 77 -16.477 -5.970 -6.873 1.00 6.58 C ATOM 1155 C VAL A 77 -16.212 -5.336 -5.523 1.00 5.93 C ATOM 1156 O VAL A 77 -15.077 -5.010 -5.187 1.00 6.00 O ATOM 1157 CB VAL A 77 -16.516 -4.905 -8.011 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -16.625 -5.594 -9.367 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -17.662 -3.909 -7.820 1.00 7.55 C ATOM 0 H VAL A 77 -18.482 -6.364 -7.276 1.00 6.30 H new ATOM 0 HA VAL A 77 -15.651 -6.634 -7.126 1.00 6.58 H new ATOM 0 HB VAL A 77 -15.586 -4.339 -7.971 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -16.652 -4.842 -10.156 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -15.763 -6.245 -9.515 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -17.538 -6.188 -9.401 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -17.654 -3.184 -8.634 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -18.612 -4.443 -7.820 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -17.538 -3.389 -6.870 1.00 7.55 H new ATOM 1169 N VAL A 78 -17.268 -5.187 -4.737 1.00 5.38 N ATOM 1170 CA VAL A 78 -17.143 -4.670 -3.408 1.00 4.74 C ATOM 1171 C VAL A 78 -17.271 -5.803 -2.377 1.00 4.00 C ATOM 1172 O VAL A 78 -17.410 -5.560 -1.202 1.00 3.42 O ATOM 1173 CB VAL A 78 -18.159 -3.522 -3.087 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -18.053 -2.367 -4.088 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -19.598 -4.012 -2.953 1.00 4.70 C ATOM 0 H VAL A 78 -18.222 -5.422 -5.011 1.00 5.38 H new ATOM 0 HA VAL A 78 -16.149 -4.227 -3.344 1.00 4.74 H new ATOM 0 HB VAL A 78 -17.873 -3.140 -2.107 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -18.775 -1.593 -3.828 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -17.047 -1.950 -4.057 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -18.262 -2.736 -5.092 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -20.251 -3.168 -2.731 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -19.912 -4.477 -3.887 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -19.660 -4.741 -2.145 1.00 4.70 H new ATOM 1185 N ALA A 79 -17.181 -7.060 -2.836 1.00 4.18 N ATOM 1186 CA ALA A 79 -17.244 -8.227 -1.914 1.00 3.76 C ATOM 1187 C ALA A 79 -15.988 -8.297 -1.076 1.00 3.69 C ATOM 1188 O ALA A 79 -15.924 -9.010 -0.063 1.00 3.56 O ATOM 1189 CB ALA A 79 -17.437 -9.522 -2.684 1.00 4.24 C ATOM 0 H ALA A 79 -17.066 -7.303 -3.820 1.00 4.18 H new ATOM 0 HA ALA A 79 -18.103 -8.095 -1.256 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -17.479 -10.358 -1.986 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -18.368 -9.474 -3.249 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -16.602 -9.665 -3.370 1.00 4.24 H new ATOM 1195 N CYS A 80 -15.000 -7.555 -1.502 1.00 4.00 N ATOM 1196 CA CYS A 80 -13.749 -7.456 -0.817 1.00 4.07 C ATOM 1197 C CYS A 80 -13.880 -6.545 0.413 1.00 3.33 C ATOM 1198 O CYS A 80 -13.051 -6.600 1.326 1.00 3.38 O ATOM 1199 CB CYS A 80 -12.696 -6.923 -1.768 1.00 4.73 C ATOM 1200 SG CYS A 80 -12.421 -7.957 -3.227 1.00 5.60 S ATOM 0 H CYS A 80 -15.049 -6.993 -2.352 1.00 4.00 H new ATOM 0 HA CYS A 80 -13.449 -8.445 -0.471 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -12.989 -5.925 -2.094 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -11.755 -6.818 -1.228 1.00 4.73 H new ATOM 0 HG CYS A 80 -11.507 -7.416 -3.976 1.00 5.60 H new ATOM 1206 N PHE A 81 -14.914 -5.720 0.414 1.00 2.86 N ATOM 1207 CA PHE A 81 -15.217 -4.852 1.531 1.00 2.27 C ATOM 1208 C PHE A 81 -16.709 -4.537 1.471 1.00 2.17 C ATOM 1209 O PHE A 81 -17.114 -3.539 0.893 1.00 2.52 O ATOM 1210 CB PHE A 81 -14.376 -3.566 1.478 1.00 2.41 C ATOM 1211 CG PHE A 81 -14.394 -2.759 2.753 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -13.816 -3.264 3.911 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -14.960 -1.500 2.794 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -13.823 -2.531 5.088 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -14.968 -0.759 3.960 1.00 4.57 C ATOM 1216 CZ PHE A 81 -14.387 -1.276 5.107 1.00 5.13 C ATOM 0 H PHE A 81 -15.567 -5.636 -0.365 1.00 2.86 H new ATOM 0 HA PHE A 81 -14.971 -5.345 2.472 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -13.345 -3.830 1.243 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -14.739 -2.942 0.662 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -13.355 -4.241 3.894 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -15.404 -1.088 1.900 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -13.388 -2.943 5.986 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -15.425 0.219 3.978 1.00 4.57 H new ATOM 0 HZ PHE A 81 -14.377 -0.694 6.016 1.00 5.13 H new ATOM 1226 N PRO A 82 -17.552 -5.430 2.020 1.00 2.09 N ATOM 1227 CA PRO A 82 -19.026 -5.352 1.896 1.00 2.39 C ATOM 1228 C PRO A 82 -19.677 -4.107 2.535 1.00 2.74 C ATOM 1229 O PRO A 82 -20.868 -3.990 2.512 1.00 3.27 O ATOM 1230 CB PRO A 82 -19.520 -6.629 2.603 1.00 2.47 C ATOM 1231 CG PRO A 82 -18.329 -7.518 2.686 1.00 2.41 C ATOM 1232 CD PRO A 82 -17.145 -6.613 2.804 1.00 2.19 C ATOM 0 HA PRO A 82 -19.304 -5.270 0.845 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -19.912 -6.403 3.595 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -20.326 -7.102 2.042 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -18.398 -8.183 3.546 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -18.251 -8.149 1.801 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -16.935 -6.356 3.842 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -16.243 -7.074 2.401 1.00 2.19 H new ATOM 1240 N HIS A 83 -18.894 -3.169 3.081 1.00 2.68 N ATOM 1241 CA HIS A 83 -19.499 -1.905 3.590 1.00 3.26 C ATOM 1242 C HIS A 83 -19.928 -1.024 2.455 1.00 3.66 C ATOM 1243 O HIS A 83 -20.571 -0.003 2.652 1.00 4.25 O ATOM 1244 CB HIS A 83 -18.584 -1.087 4.500 1.00 3.25 C ATOM 1245 CG HIS A 83 -18.477 -1.570 5.912 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -19.477 -1.387 6.834 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -17.465 -2.182 6.577 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -19.094 -1.859 8.001 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -17.876 -2.344 7.883 1.00 4.19 N ATOM 0 H HIS A 83 -17.882 -3.241 3.185 1.00 2.68 H new ATOM 0 HA HIS A 83 -20.351 -2.231 4.186 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -17.585 -1.073 4.063 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -18.941 -0.057 4.513 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -16.516 -2.485 6.161 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -19.682 -1.850 8.907 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -17.328 -2.768 8.632 1.00 4.19 H new ATOM 1258 N LEU A 84 -19.554 -1.416 1.273 1.00 3.56 N ATOM 1259 CA LEU A 84 -19.863 -0.673 0.108 1.00 4.20 C ATOM 1260 C LEU A 84 -21.166 -1.277 -0.489 1.00 4.81 C ATOM 1261 O LEU A 84 -21.656 -0.853 -1.541 1.00 5.47 O ATOM 1262 CB LEU A 84 -18.686 -0.816 -0.884 1.00 4.05 C ATOM 1263 CG LEU A 84 -17.232 -0.780 -0.263 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -16.148 -0.958 -1.317 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -16.949 0.463 0.588 1.00 3.49 C ATOM 0 H LEU A 84 -19.022 -2.269 1.099 1.00 3.56 H new ATOM 0 HA LEU A 84 -20.012 0.385 0.321 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -18.805 -1.757 -1.421 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -18.762 -0.017 -1.621 1.00 4.05 H new ATOM 0 HG LEU A 84 -17.203 -1.635 0.412 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -15.168 -0.926 -0.840 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -16.278 -1.919 -1.814 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -16.220 -0.157 -2.052 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -15.932 0.413 0.978 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -17.059 1.357 -0.026 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -17.654 0.504 1.418 1.00 3.49 H new ATOM 1277 N LYS A 85 -21.710 -2.281 0.223 1.00 4.68 N ATOM 1278 CA LYS A 85 -22.931 -2.982 -0.133 1.00 5.28 C ATOM 1279 C LYS A 85 -23.809 -3.322 1.108 1.00 6.06 C ATOM 1280 O LYS A 85 -23.495 -4.219 1.861 1.00 6.40 O ATOM 1281 CB LYS A 85 -22.612 -4.218 -1.068 1.00 5.04 C ATOM 1282 CG LYS A 85 -23.584 -5.430 -1.069 1.00 5.59 C ATOM 1283 CD LYS A 85 -23.228 -6.414 0.053 1.00 6.41 C ATOM 1284 CE LYS A 85 -24.077 -7.677 0.069 1.00 7.19 C ATOM 1285 NZ LYS A 85 -25.468 -7.439 0.488 1.00 8.04 N ATOM 0 H LYS A 85 -21.290 -2.628 1.085 1.00 4.68 H new ATOM 0 HA LYS A 85 -23.555 -2.309 -0.721 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -22.545 -3.848 -2.091 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -21.623 -4.589 -0.798 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -24.608 -5.081 -0.941 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -23.538 -5.938 -2.032 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -22.180 -6.696 -0.045 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -23.333 -5.907 1.012 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -24.076 -8.120 -0.927 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -23.622 -8.404 0.742 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -25.992 -8.337 0.478 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -25.478 -7.043 1.450 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -25.918 -6.768 -0.167 1.00 8.04 H new ATOM 1299 N LYS A 86 -24.911 -2.572 1.286 1.00 6.60 N ATOM 1300 CA LYS A 86 -25.872 -2.788 2.415 1.00 7.50 C ATOM 1301 C LYS A 86 -25.182 -2.707 3.818 1.00 8.13 C ATOM 1302 O LYS A 86 -24.996 -1.601 4.323 1.00 8.62 O ATOM 1303 CB LYS A 86 -26.606 -4.153 2.272 1.00 8.04 C ATOM 1304 CG LYS A 86 -27.640 -4.417 3.353 1.00 8.96 C ATOM 1305 CD LYS A 86 -28.855 -3.522 3.199 1.00 9.74 C ATOM 1306 CE LYS A 86 -29.550 -3.326 4.529 1.00 10.66 C ATOM 1307 NZ LYS A 86 -28.693 -2.527 5.451 1.00 11.10 N ATOM 1308 OXT LYS A 86 -24.880 -3.787 4.422 1.00 8.37 O ATOM 0 H LYS A 86 -25.171 -1.804 0.667 1.00 6.60 H new ATOM 0 HA LYS A 86 -26.598 -1.978 2.355 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -27.096 -4.190 1.299 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -25.867 -4.954 2.288 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -27.950 -5.461 3.313 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -27.191 -4.255 4.333 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -28.552 -2.556 2.796 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -29.548 -3.963 2.483 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -30.503 -2.819 4.377 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -29.772 -4.295 4.977 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -29.295 -1.942 6.065 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -28.121 -3.168 6.037 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -28.064 -1.913 4.895 1.00 11.10 H new TER 1322 LYS A 86