USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 803 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 84 ASN : amide:sc= -3.12! X(o=-0.88!,f=-0.9) USER MOD Set 1.2: A 86 HIS : no HD1:sc= 1.08 K(o=-0.88,f=-8.9!) USER MOD Set 1.3: A 91 THR OG1 : rot -121:sc= 1.16 USER MOD Set 2.1: A 46 ASN : amide:sc= -2.59 K(o=-2.6,f=-7.3!) USER MOD Set 2.2: A 78 SER OG : rot -142:sc= 0.0287 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.141) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0115 X(o=-0.012,f=-0.17) USER MOD Single : A 5 HIS : no HD1:sc=-0.00527 X(o=-0.0053,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.134 X(o=-0.13,f=0.021) USER MOD Single : A 8 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-4.1e-05) USER MOD Single : A 10 ASN : amide:sc= -0.0529 K(o=-0.053,f=-2.8!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.566 K(o=-0.57,f=-5.9!) USER MOD Single : A 15 SER OG : rot -120:sc= -1.52! USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 17 MET CE :methyl 165:sc= -0.0656 (180deg=-0.379) USER MOD Single : A 18 THR OG1 : rot -166:sc= -0.0238 USER MOD Single : A 27 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.032) USER MOD Single : A 33 HIS : no HE2:sc= -1.02 K(o=-1,f=-2.7!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 44 HIS : no HD1:sc= 0.506 K(o=0.51,f=-2.1!) USER MOD Single : A 56 ASN : amide:sc= -1.65! K(o=-1.7!,f=-0.0086) USER MOD Single : A 58 SER OG : rot 90:sc= 0.0677 USER MOD Single : A 59 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0251) USER MOD Single : A 63 LYS NZ :NH3+ -175:sc=-0.00877 (180deg=-0.0647) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0173) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 1.27 (180deg=-0.0852) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 42:sc= 0.0233 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 42:sc= 0.453 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.997 -37.555 -14.891 1.00 5.11 N ATOM 2 CA MET A 1 14.382 -38.802 -14.371 1.00 0.53 C ATOM 3 C MET A 1 14.061 -38.632 -12.877 1.00 23.14 C ATOM 4 O MET A 1 14.933 -38.232 -12.100 1.00 74.33 O ATOM 5 CB MET A 1 15.328 -40.012 -14.607 1.00 23.50 C ATOM 6 CG MET A 1 15.651 -40.277 -16.082 1.00 44.51 C ATOM 7 SD MET A 1 16.726 -41.712 -16.307 1.00 14.21 S ATOM 8 CE MET A 1 16.987 -41.679 -18.082 1.00 54.45 C ATOM 0 H1 MET A 1 15.043 -37.597 -15.929 1.00 5.11 H new ATOM 0 H2 MET A 1 14.422 -36.738 -14.603 1.00 5.11 H new ATOM 0 H3 MET A 1 15.958 -37.455 -14.506 1.00 5.11 H new ATOM 0 HA MET A 1 13.453 -38.998 -14.907 1.00 0.53 H new ATOM 0 HB2 MET A 1 16.260 -39.842 -14.067 1.00 23.50 H new ATOM 0 HB3 MET A 1 14.871 -40.905 -14.180 1.00 23.50 H new ATOM 0 HG2 MET A 1 14.723 -40.433 -16.632 1.00 44.51 H new ATOM 0 HG3 MET A 1 16.131 -39.397 -16.510 1.00 44.51 H new ATOM 0 HE1 MET A 1 17.633 -42.508 -18.370 1.00 54.45 H new ATOM 0 HE2 MET A 1 16.028 -41.772 -18.592 1.00 54.45 H new ATOM 0 HE3 MET A 1 17.458 -40.737 -18.363 1.00 54.45 H new ATOM 20 N GLY A 2 12.790 -38.912 -12.501 1.00 0.32 N ATOM 21 CA GLY A 2 12.313 -38.763 -11.119 1.00 1.33 C ATOM 22 C GLY A 2 12.288 -37.307 -10.668 1.00 15.15 C ATOM 23 O GLY A 2 12.183 -36.397 -11.504 1.00 25.32 O ATOM 0 H GLY A 2 12.076 -39.245 -13.149 1.00 0.32 H new ATOM 0 HA2 GLY A 2 11.311 -39.184 -11.036 1.00 1.33 H new ATOM 0 HA3 GLY A 2 12.956 -39.337 -10.451 1.00 1.33 H new ATOM 27 N HIS A 3 12.377 -37.071 -9.347 1.00 73.41 N ATOM 28 CA HIS A 3 12.434 -35.712 -8.779 1.00 0.54 C ATOM 29 C HIS A 3 13.499 -35.663 -7.671 1.00 5.24 C ATOM 30 O HIS A 3 13.385 -36.352 -6.656 1.00 61.11 O ATOM 31 CB HIS A 3 11.033 -35.249 -8.275 1.00 51.42 C ATOM 32 CG HIS A 3 10.328 -36.168 -7.301 1.00 34.03 C ATOM 33 ND1 HIS A 3 9.388 -37.099 -7.691 1.00 70.32 N ATOM 34 CD2 HIS A 3 10.371 -36.244 -5.944 1.00 34.12 C ATOM 35 CE1 HIS A 3 8.902 -37.704 -6.628 1.00 12.53 C ATOM 36 NE2 HIS A 3 9.476 -37.203 -5.558 1.00 41.12 N ATOM 0 H HIS A 3 12.411 -37.812 -8.647 1.00 73.41 H new ATOM 0 HA HIS A 3 12.724 -35.009 -9.560 1.00 0.54 H new ATOM 0 HB2 HIS A 3 11.146 -34.273 -7.803 1.00 51.42 H new ATOM 0 HB3 HIS A 3 10.387 -35.111 -9.142 1.00 51.42 H new ATOM 0 HD2 HIS A 3 10.997 -35.655 -5.291 1.00 34.12 H new ATOM 0 HE1 HIS A 3 8.155 -38.484 -6.634 1.00 12.53 H new ATOM 0 HE2 HIS A 3 9.285 -37.484 -4.596 1.00 41.12 H new ATOM 45 N HIS A 4 14.560 -34.866 -7.899 1.00 64.32 N ATOM 46 CA HIS A 4 15.670 -34.715 -6.939 1.00 42.20 C ATOM 47 C HIS A 4 15.266 -33.758 -5.799 1.00 65.20 C ATOM 48 O HIS A 4 14.283 -33.008 -5.914 1.00 44.01 O ATOM 49 CB HIS A 4 16.957 -34.221 -7.662 1.00 41.52 C ATOM 50 CG HIS A 4 16.846 -32.864 -8.316 1.00 44.20 C ATOM 51 ND1 HIS A 4 16.462 -32.693 -9.632 1.00 60.12 N ATOM 52 CD2 HIS A 4 17.113 -31.615 -7.847 1.00 24.35 C ATOM 53 CE1 HIS A 4 16.498 -31.414 -9.934 1.00 31.22 C ATOM 54 NE2 HIS A 4 16.887 -30.741 -8.871 1.00 73.43 N ATOM 0 H HIS A 4 14.672 -34.312 -8.748 1.00 64.32 H new ATOM 0 HA HIS A 4 15.889 -35.689 -6.501 1.00 42.20 H new ATOM 0 HB2 HIS A 4 17.772 -34.193 -6.939 1.00 41.52 H new ATOM 0 HB3 HIS A 4 17.231 -34.952 -8.423 1.00 41.52 H new ATOM 0 HD2 HIS A 4 17.442 -31.362 -6.850 1.00 24.35 H new ATOM 0 HE1 HIS A 4 16.250 -30.986 -10.894 1.00 31.22 H new ATOM 0 HE2 HIS A 4 17.001 -29.729 -8.821 1.00 73.43 H new ATOM 63 N HIS A 5 16.044 -33.784 -4.711 1.00 15.12 N ATOM 64 CA HIS A 5 15.803 -32.952 -3.520 1.00 60.53 C ATOM 65 C HIS A 5 16.523 -31.606 -3.687 1.00 51.53 C ATOM 66 O HIS A 5 17.686 -31.566 -4.121 1.00 21.11 O ATOM 67 CB HIS A 5 16.292 -33.675 -2.233 1.00 60.52 C ATOM 68 CG HIS A 5 15.598 -34.991 -1.963 1.00 74.02 C ATOM 69 ND1 HIS A 5 14.697 -35.176 -0.934 1.00 61.20 N ATOM 70 CD2 HIS A 5 15.680 -36.188 -2.596 1.00 64.03 C ATOM 71 CE1 HIS A 5 14.267 -36.422 -0.944 1.00 0.32 C ATOM 72 NE2 HIS A 5 14.843 -37.055 -1.943 1.00 71.20 N ATOM 0 H HIS A 5 16.864 -34.385 -4.629 1.00 15.12 H new ATOM 0 HA HIS A 5 14.732 -32.779 -3.418 1.00 60.53 H new ATOM 0 HB2 HIS A 5 17.365 -33.852 -2.314 1.00 60.52 H new ATOM 0 HB3 HIS A 5 16.141 -33.015 -1.379 1.00 60.52 H new ATOM 0 HD2 HIS A 5 16.292 -36.416 -3.456 1.00 64.03 H new ATOM 0 HE1 HIS A 5 13.561 -36.851 -0.249 1.00 0.32 H new ATOM 0 HE2 HIS A 5 14.691 -38.033 -2.191 1.00 71.20 H new ATOM 81 N HIS A 6 15.810 -30.514 -3.363 1.00 73.30 N ATOM 82 CA HIS A 6 16.338 -29.132 -3.416 1.00 5.24 C ATOM 83 C HIS A 6 17.227 -28.850 -2.196 1.00 14.14 C ATOM 84 O HIS A 6 16.832 -29.118 -1.059 1.00 13.31 O ATOM 85 CB HIS A 6 15.178 -28.102 -3.476 1.00 12.25 C ATOM 86 CG HIS A 6 14.508 -28.012 -4.816 1.00 35.43 C ATOM 87 ND1 HIS A 6 14.799 -27.021 -5.722 1.00 43.02 N ATOM 88 CD2 HIS A 6 13.564 -28.786 -5.404 1.00 33.02 C ATOM 89 CE1 HIS A 6 14.056 -27.173 -6.791 1.00 65.41 C ATOM 90 NE2 HIS A 6 13.301 -28.240 -6.631 1.00 12.45 N ATOM 0 H HIS A 6 14.839 -30.562 -3.053 1.00 73.30 H new ATOM 0 HA HIS A 6 16.938 -29.033 -4.321 1.00 5.24 H new ATOM 0 HB2 HIS A 6 14.433 -28.366 -2.726 1.00 12.25 H new ATOM 0 HB3 HIS A 6 15.565 -27.119 -3.208 1.00 12.25 H new ATOM 0 HD2 HIS A 6 13.105 -29.668 -4.983 1.00 33.02 H new ATOM 0 HE1 HIS A 6 14.062 -26.530 -7.659 1.00 65.41 H new ATOM 0 HE2 HIS A 6 12.630 -28.600 -7.310 1.00 12.45 H new ATOM 99 N HIS A 7 18.443 -28.342 -2.459 1.00 71.31 N ATOM 100 CA HIS A 7 19.420 -27.939 -1.423 1.00 72.43 C ATOM 101 C HIS A 7 19.846 -26.481 -1.674 1.00 52.40 C ATOM 102 O HIS A 7 20.147 -26.110 -2.814 1.00 55.02 O ATOM 103 CB HIS A 7 20.666 -28.869 -1.431 1.00 55.33 C ATOM 104 CG HIS A 7 20.414 -30.286 -0.958 1.00 30.22 C ATOM 105 ND1 HIS A 7 21.090 -30.859 0.099 1.00 54.21 N ATOM 106 CD2 HIS A 7 19.576 -31.249 -1.414 1.00 62.03 C ATOM 107 CE1 HIS A 7 20.687 -32.097 0.260 1.00 44.04 C ATOM 108 NE2 HIS A 7 19.768 -32.357 -0.641 1.00 55.42 N ATOM 0 H HIS A 7 18.783 -28.196 -3.409 1.00 71.31 H new ATOM 0 HA HIS A 7 18.949 -28.025 -0.444 1.00 72.43 H new ATOM 0 HB2 HIS A 7 21.065 -28.907 -2.444 1.00 55.33 H new ATOM 0 HB3 HIS A 7 21.436 -28.424 -0.801 1.00 55.33 H new ATOM 0 HD2 HIS A 7 18.884 -31.156 -2.238 1.00 62.03 H new ATOM 0 HE1 HIS A 7 21.050 -32.786 1.008 1.00 44.04 H new ATOM 0 HE2 HIS A 7 19.277 -33.245 -0.746 1.00 55.42 H new ATOM 117 N HIS A 8 19.839 -25.665 -0.605 1.00 1.24 N ATOM 118 CA HIS A 8 20.298 -24.259 -0.636 1.00 63.54 C ATOM 119 C HIS A 8 20.941 -23.888 0.708 1.00 22.53 C ATOM 120 O HIS A 8 20.684 -24.536 1.731 1.00 74.14 O ATOM 121 CB HIS A 8 19.131 -23.279 -0.969 1.00 12.42 C ATOM 122 CG HIS A 8 17.958 -23.311 -0.013 1.00 54.44 C ATOM 123 ND1 HIS A 8 16.704 -23.727 -0.385 1.00 11.15 N ATOM 124 CD2 HIS A 8 17.845 -22.946 1.292 1.00 41.30 C ATOM 125 CE1 HIS A 8 15.879 -23.607 0.637 1.00 72.04 C ATOM 126 NE2 HIS A 8 16.544 -23.138 1.662 1.00 41.45 N ATOM 0 H HIS A 8 19.512 -25.963 0.314 1.00 1.24 H new ATOM 0 HA HIS A 8 21.040 -24.166 -1.429 1.00 63.54 H new ATOM 0 HB2 HIS A 8 19.528 -22.264 -0.995 1.00 12.42 H new ATOM 0 HB3 HIS A 8 18.766 -23.504 -1.971 1.00 12.42 H new ATOM 0 HD2 HIS A 8 18.639 -22.572 1.921 1.00 41.30 H new ATOM 0 HE1 HIS A 8 14.828 -23.855 0.629 1.00 72.04 H new ATOM 0 HE2 HIS A 8 16.155 -22.947 2.585 1.00 41.45 H new ATOM 135 N GLU A 9 21.746 -22.820 0.686 1.00 51.13 N ATOM 136 CA GLU A 9 22.337 -22.213 1.894 1.00 51.43 C ATOM 137 C GLU A 9 21.278 -21.298 2.575 1.00 31.53 C ATOM 138 O GLU A 9 20.265 -20.968 1.945 1.00 2.12 O ATOM 139 CB GLU A 9 23.611 -21.415 1.486 1.00 44.40 C ATOM 140 CG GLU A 9 24.400 -20.806 2.660 1.00 34.41 C ATOM 141 CD GLU A 9 25.661 -20.060 2.217 1.00 74.23 C ATOM 142 OE1 GLU A 9 26.785 -20.584 2.399 1.00 2.33 O ATOM 143 OE2 GLU A 9 25.535 -18.947 1.670 1.00 54.32 O ATOM 0 H GLU A 9 22.011 -22.345 -0.177 1.00 51.13 H new ATOM 0 HA GLU A 9 22.630 -22.980 2.610 1.00 51.43 H new ATOM 0 HB2 GLU A 9 24.273 -22.077 0.927 1.00 44.40 H new ATOM 0 HB3 GLU A 9 23.318 -20.612 0.809 1.00 44.40 H new ATOM 0 HG2 GLU A 9 23.753 -20.120 3.207 1.00 34.41 H new ATOM 0 HG3 GLU A 9 24.680 -21.600 3.352 1.00 34.41 H new ATOM 150 N ASN A 10 21.528 -20.924 3.856 1.00 22.50 N ATOM 151 CA ASN A 10 20.632 -20.074 4.686 1.00 34.34 C ATOM 152 C ASN A 10 20.201 -18.794 3.938 1.00 20.13 C ATOM 153 O ASN A 10 20.987 -17.853 3.815 1.00 32.11 O ATOM 154 CB ASN A 10 21.335 -19.688 6.025 1.00 74.33 C ATOM 155 CG ASN A 10 21.676 -20.881 6.931 1.00 72.21 C ATOM 156 OD1 ASN A 10 21.912 -21.993 6.468 1.00 54.02 O ATOM 157 ND2 ASN A 10 21.728 -20.654 8.234 1.00 35.22 N ATOM 0 H ASN A 10 22.373 -21.209 4.351 1.00 22.50 H new ATOM 0 HA ASN A 10 19.737 -20.659 4.899 1.00 34.34 H new ATOM 0 HB2 ASN A 10 22.253 -19.147 5.796 1.00 74.33 H new ATOM 0 HB3 ASN A 10 20.690 -19.003 6.575 1.00 74.33 H new ATOM 0 HD21 ASN A 10 21.968 -21.411 8.874 1.00 35.22 H new ATOM 0 HD22 ASN A 10 21.528 -19.722 8.598 1.00 35.22 H new ATOM 164 N LEU A 11 18.961 -18.804 3.406 1.00 41.25 N ATOM 165 CA LEU A 11 18.393 -17.672 2.651 1.00 34.34 C ATOM 166 C LEU A 11 18.151 -16.485 3.600 1.00 44.15 C ATOM 167 O LEU A 11 17.236 -16.525 4.435 1.00 44.42 O ATOM 168 CB LEU A 11 17.063 -18.093 1.953 1.00 14.41 C ATOM 169 CG LEU A 11 17.148 -19.321 0.991 1.00 21.34 C ATOM 170 CD1 LEU A 11 15.744 -19.735 0.490 1.00 63.31 C ATOM 171 CD2 LEU A 11 18.118 -19.056 -0.187 1.00 13.55 C ATOM 0 H LEU A 11 18.327 -19.598 3.489 1.00 41.25 H new ATOM 0 HA LEU A 11 19.101 -17.370 1.879 1.00 34.34 H new ATOM 0 HB2 LEU A 11 16.326 -18.313 2.725 1.00 14.41 H new ATOM 0 HB3 LEU A 11 16.688 -17.240 1.388 1.00 14.41 H new ATOM 0 HG LEU A 11 17.555 -20.157 1.559 1.00 21.34 H new ATOM 0 HD11 LEU A 11 15.834 -20.592 -0.178 1.00 63.31 H new ATOM 0 HD12 LEU A 11 15.118 -20.002 1.341 1.00 63.31 H new ATOM 0 HD13 LEU A 11 15.289 -18.903 -0.047 1.00 63.31 H new ATOM 0 HD21 LEU A 11 18.151 -19.932 -0.835 1.00 13.55 H new ATOM 0 HD22 LEU A 11 17.770 -18.195 -0.758 1.00 13.55 H new ATOM 0 HD23 LEU A 11 19.116 -18.854 0.202 1.00 13.55 H new ATOM 183 N TYR A 12 19.010 -15.459 3.490 1.00 44.34 N ATOM 184 CA TYR A 12 18.949 -14.274 4.352 1.00 64.33 C ATOM 185 C TYR A 12 17.779 -13.357 3.943 1.00 1.31 C ATOM 186 O TYR A 12 17.922 -12.462 3.097 1.00 3.44 O ATOM 187 CB TYR A 12 20.303 -13.524 4.344 1.00 34.51 C ATOM 188 CG TYR A 12 21.465 -14.383 4.873 1.00 32.41 C ATOM 189 CD1 TYR A 12 21.658 -14.575 6.248 1.00 52.42 C ATOM 190 CD2 TYR A 12 22.352 -15.023 3.999 1.00 50.44 C ATOM 191 CE1 TYR A 12 22.688 -15.370 6.719 1.00 25.23 C ATOM 192 CE2 TYR A 12 23.374 -15.820 4.472 1.00 73.23 C ATOM 193 CZ TYR A 12 23.541 -15.985 5.826 1.00 13.42 C ATOM 194 OH TYR A 12 24.558 -16.786 6.295 1.00 43.02 O ATOM 0 H TYR A 12 19.763 -15.430 2.803 1.00 44.34 H new ATOM 0 HA TYR A 12 18.761 -14.598 5.376 1.00 64.33 H new ATOM 0 HB2 TYR A 12 20.529 -13.202 3.327 1.00 34.51 H new ATOM 0 HB3 TYR A 12 20.217 -12.623 4.952 1.00 34.51 H new ATOM 0 HD1 TYR A 12 20.993 -14.095 6.951 1.00 52.42 H new ATOM 0 HD2 TYR A 12 22.234 -14.890 2.934 1.00 50.44 H new ATOM 0 HE1 TYR A 12 22.824 -15.508 7.781 1.00 25.23 H new ATOM 0 HE2 TYR A 12 24.041 -16.313 3.780 1.00 73.23 H new ATOM 0 HH TYR A 12 25.067 -17.145 5.538 1.00 43.02 H new ATOM 204 N PHE A 13 16.610 -13.649 4.532 1.00 33.50 N ATOM 205 CA PHE A 13 15.364 -12.885 4.332 1.00 32.34 C ATOM 206 C PHE A 13 15.472 -11.465 4.931 1.00 24.21 C ATOM 207 O PHE A 13 14.799 -10.534 4.469 1.00 20.02 O ATOM 208 CB PHE A 13 14.171 -13.657 4.965 1.00 70.11 C ATOM 209 CG PHE A 13 14.299 -13.870 6.483 1.00 1.12 C ATOM 210 CD1 PHE A 13 14.996 -14.968 7.004 1.00 12.31 C ATOM 211 CD2 PHE A 13 13.748 -12.957 7.387 1.00 70.55 C ATOM 212 CE1 PHE A 13 15.137 -15.136 8.371 1.00 73.31 C ATOM 213 CE2 PHE A 13 13.890 -13.131 8.749 1.00 23.12 C ATOM 214 CZ PHE A 13 14.582 -14.219 9.240 1.00 1.31 C ATOM 0 H PHE A 13 16.499 -14.435 5.172 1.00 33.50 H new ATOM 0 HA PHE A 13 15.194 -12.776 3.261 1.00 32.34 H new ATOM 0 HB2 PHE A 13 13.249 -13.112 4.761 1.00 70.11 H new ATOM 0 HB3 PHE A 13 14.081 -14.628 4.478 1.00 70.11 H new ATOM 0 HD1 PHE A 13 15.429 -15.693 6.330 1.00 12.31 H new ATOM 0 HD2 PHE A 13 13.203 -12.102 7.014 1.00 70.55 H new ATOM 0 HE1 PHE A 13 15.681 -15.985 8.757 1.00 73.31 H new ATOM 0 HE2 PHE A 13 13.459 -12.414 9.432 1.00 23.12 H new ATOM 0 HZ PHE A 13 14.689 -14.353 10.306 1.00 1.31 H new ATOM 224 N GLN A 14 16.309 -11.348 5.989 1.00 43.41 N ATOM 225 CA GLN A 14 16.598 -10.078 6.675 1.00 11.11 C ATOM 226 C GLN A 14 17.224 -9.071 5.688 1.00 23.04 C ATOM 227 O GLN A 14 18.419 -9.139 5.371 1.00 5.32 O ATOM 228 CB GLN A 14 17.526 -10.287 7.926 1.00 50.24 C ATOM 229 CG GLN A 14 18.756 -11.231 7.725 1.00 52.14 C ATOM 230 CD GLN A 14 18.475 -12.700 8.094 1.00 42.43 C ATOM 231 OE1 GLN A 14 18.041 -13.510 7.276 1.00 12.15 O ATOM 232 NE2 GLN A 14 18.719 -13.052 9.337 1.00 24.02 N ATOM 0 H GLN A 14 16.805 -12.144 6.390 1.00 43.41 H new ATOM 0 HA GLN A 14 15.654 -9.673 7.040 1.00 11.11 H new ATOM 0 HB2 GLN A 14 17.892 -9.312 8.248 1.00 50.24 H new ATOM 0 HB3 GLN A 14 16.919 -10.684 8.740 1.00 50.24 H new ATOM 0 HG2 GLN A 14 19.075 -11.182 6.684 1.00 52.14 H new ATOM 0 HG3 GLN A 14 19.586 -10.866 8.330 1.00 52.14 H new ATOM 0 HE21 GLN A 14 19.079 -12.366 10.000 1.00 24.02 H new ATOM 0 HE22 GLN A 14 18.549 -14.012 9.638 1.00 24.02 H new ATOM 241 N SER A 15 16.380 -8.171 5.173 1.00 72.12 N ATOM 242 CA SER A 15 16.779 -7.160 4.193 1.00 30.43 C ATOM 243 C SER A 15 17.317 -5.912 4.912 1.00 62.45 C ATOM 244 O SER A 15 16.593 -5.270 5.686 1.00 74.23 O ATOM 245 CB SER A 15 15.574 -6.822 3.304 1.00 13.45 C ATOM 246 OG SER A 15 15.026 -8.009 2.754 1.00 52.53 O ATOM 0 H SER A 15 15.393 -8.125 5.428 1.00 72.12 H new ATOM 0 HA SER A 15 17.579 -7.546 3.562 1.00 30.43 H new ATOM 0 HB2 SER A 15 14.817 -6.299 3.888 1.00 13.45 H new ATOM 0 HB3 SER A 15 15.880 -6.149 2.503 1.00 13.45 H new ATOM 0 HG SER A 15 15.063 -7.964 1.776 1.00 52.53 H new ATOM 252 N HIS A 16 18.607 -5.608 4.661 1.00 13.13 N ATOM 253 CA HIS A 16 19.318 -4.447 5.238 1.00 54.54 C ATOM 254 C HIS A 16 18.719 -3.123 4.712 1.00 65.20 C ATOM 255 O HIS A 16 18.755 -2.093 5.394 1.00 62.42 O ATOM 256 CB HIS A 16 20.828 -4.547 4.906 1.00 31.14 C ATOM 257 CG HIS A 16 21.685 -3.521 5.584 1.00 34.11 C ATOM 258 ND1 HIS A 16 21.925 -2.277 5.053 1.00 64.54 N ATOM 259 CD2 HIS A 16 22.334 -3.549 6.775 1.00 63.25 C ATOM 260 CE1 HIS A 16 22.690 -1.593 5.874 1.00 13.11 C ATOM 261 NE2 HIS A 16 22.951 -2.341 6.923 1.00 14.14 N ATOM 0 H HIS A 16 19.193 -6.170 4.043 1.00 13.13 H new ATOM 0 HA HIS A 16 19.196 -4.455 6.321 1.00 54.54 H new ATOM 0 HB2 HIS A 16 21.183 -5.539 5.185 1.00 31.14 H new ATOM 0 HB3 HIS A 16 20.957 -4.454 3.828 1.00 31.14 H new ATOM 0 HD2 HIS A 16 22.358 -4.372 7.474 1.00 63.25 H new ATOM 0 HE1 HIS A 16 23.045 -0.586 5.714 1.00 13.11 H new ATOM 0 HE2 HIS A 16 23.523 -2.063 7.720 1.00 14.14 H new ATOM 270 N MET A 17 18.182 -3.178 3.483 1.00 33.12 N ATOM 271 CA MET A 17 17.433 -2.071 2.866 1.00 14.23 C ATOM 272 C MET A 17 16.200 -2.645 2.153 1.00 3.42 C ATOM 273 O MET A 17 16.289 -3.687 1.492 1.00 14.30 O ATOM 274 CB MET A 17 18.321 -1.283 1.861 1.00 33.03 C ATOM 275 CG MET A 17 17.615 -0.098 1.156 1.00 22.42 C ATOM 276 SD MET A 17 18.707 0.825 0.045 1.00 72.14 S ATOM 277 CE MET A 17 19.187 -0.430 -1.145 1.00 44.51 C ATOM 0 H MET A 17 18.256 -4.000 2.884 1.00 33.12 H new ATOM 0 HA MET A 17 17.122 -1.374 3.644 1.00 14.23 H new ATOM 0 HB2 MET A 17 19.194 -0.903 2.391 1.00 33.03 H new ATOM 0 HB3 MET A 17 18.685 -1.974 1.101 1.00 33.03 H new ATOM 0 HG2 MET A 17 16.765 -0.476 0.588 1.00 22.42 H new ATOM 0 HG3 MET A 17 17.218 0.581 1.911 1.00 22.42 H new ATOM 0 HE1 MET A 17 19.631 0.048 -2.019 1.00 44.51 H new ATOM 0 HE2 MET A 17 19.914 -1.103 -0.691 1.00 44.51 H new ATOM 0 HE3 MET A 17 18.308 -0.998 -1.449 1.00 44.51 H new ATOM 287 N THR A 18 15.057 -1.967 2.311 1.00 52.14 N ATOM 288 CA THR A 18 13.784 -2.334 1.652 1.00 21.14 C ATOM 289 C THR A 18 13.015 -1.055 1.232 1.00 64.20 C ATOM 290 O THR A 18 12.174 -1.088 0.326 1.00 54.14 O ATOM 291 CB THR A 18 12.883 -3.217 2.604 1.00 54.45 C ATOM 292 OG1 THR A 18 13.682 -4.208 3.274 1.00 63.34 O ATOM 293 CG2 THR A 18 11.755 -3.932 1.834 1.00 63.43 C ATOM 0 H THR A 18 14.982 -1.140 2.904 1.00 52.14 H new ATOM 0 HA THR A 18 14.019 -2.922 0.765 1.00 21.14 H new ATOM 0 HB THR A 18 12.434 -2.539 3.330 1.00 54.45 H new ATOM 0 HG1 THR A 18 13.096 -4.877 3.686 1.00 63.34 H new ATOM 0 HG21 THR A 18 11.161 -4.527 2.528 1.00 63.43 H new ATOM 0 HG22 THR A 18 11.116 -3.191 1.353 1.00 63.43 H new ATOM 0 HG23 THR A 18 12.189 -4.584 1.076 1.00 63.43 H new ATOM 301 N ASP A 19 13.316 0.083 1.897 1.00 73.11 N ATOM 302 CA ASP A 19 12.628 1.367 1.661 1.00 43.24 C ATOM 303 C ASP A 19 13.266 2.129 0.480 1.00 62.24 C ATOM 304 O ASP A 19 14.271 2.823 0.646 1.00 64.14 O ATOM 305 CB ASP A 19 12.621 2.224 2.961 1.00 44.13 C ATOM 306 CG ASP A 19 11.882 3.570 2.787 1.00 13.30 C ATOM 307 OD1 ASP A 19 12.550 4.609 2.568 1.00 54.43 O ATOM 308 OD2 ASP A 19 10.632 3.597 2.869 1.00 45.44 O ATOM 0 H ASP A 19 14.042 0.134 2.611 1.00 73.11 H new ATOM 0 HA ASP A 19 11.593 1.161 1.389 1.00 43.24 H new ATOM 0 HB2 ASP A 19 12.148 1.656 3.762 1.00 44.13 H new ATOM 0 HB3 ASP A 19 13.649 2.416 3.270 1.00 44.13 H new ATOM 313 N GLU A 20 12.717 1.898 -0.723 1.00 74.32 N ATOM 314 CA GLU A 20 12.990 2.711 -1.934 1.00 34.41 C ATOM 315 C GLU A 20 11.655 2.932 -2.657 1.00 24.12 C ATOM 316 O GLU A 20 11.165 4.063 -2.752 1.00 32.02 O ATOM 317 CB GLU A 20 14.031 2.035 -2.889 1.00 4.35 C ATOM 318 CG GLU A 20 15.426 1.791 -2.271 1.00 73.34 C ATOM 319 CD GLU A 20 16.376 1.048 -3.225 1.00 53.33 C ATOM 320 OE1 GLU A 20 17.225 1.693 -3.873 1.00 34.51 O ATOM 321 OE2 GLU A 20 16.261 -0.189 -3.345 1.00 41.42 O ATOM 0 H GLU A 20 12.062 1.134 -0.891 1.00 74.32 H new ATOM 0 HA GLU A 20 13.433 3.661 -1.633 1.00 34.41 H new ATOM 0 HB2 GLU A 20 13.627 1.080 -3.224 1.00 4.35 H new ATOM 0 HB3 GLU A 20 14.147 2.660 -3.775 1.00 4.35 H new ATOM 0 HG2 GLU A 20 15.869 2.748 -1.996 1.00 73.34 H new ATOM 0 HG3 GLU A 20 15.316 1.215 -1.352 1.00 73.34 H new ATOM 328 N LEU A 21 11.042 1.820 -3.136 1.00 73.32 N ATOM 329 CA LEU A 21 9.696 1.849 -3.742 1.00 72.24 C ATOM 330 C LEU A 21 8.620 2.090 -2.665 1.00 33.42 C ATOM 331 O LEU A 21 7.501 2.505 -2.982 1.00 21.24 O ATOM 332 CB LEU A 21 9.425 0.544 -4.572 1.00 24.02 C ATOM 333 CG LEU A 21 9.468 -0.866 -3.832 1.00 3.04 C ATOM 334 CD1 LEU A 21 8.156 -1.197 -3.071 1.00 63.35 C ATOM 335 CD2 LEU A 21 9.827 -2.012 -4.818 1.00 31.05 C ATOM 0 H LEU A 21 11.464 0.892 -3.112 1.00 73.32 H new ATOM 0 HA LEU A 21 9.647 2.684 -4.440 1.00 72.24 H new ATOM 0 HB2 LEU A 21 8.442 0.645 -5.031 1.00 24.02 H new ATOM 0 HB3 LEU A 21 10.153 0.512 -5.382 1.00 24.02 H new ATOM 0 HG LEU A 21 10.256 -0.785 -3.083 1.00 3.04 H new ATOM 0 HD11 LEU A 21 8.250 -2.170 -2.589 1.00 63.35 H new ATOM 0 HD12 LEU A 21 7.972 -0.434 -2.315 1.00 63.35 H new ATOM 0 HD13 LEU A 21 7.323 -1.220 -3.774 1.00 63.35 H new ATOM 0 HD21 LEU A 21 9.848 -2.960 -4.281 1.00 31.05 H new ATOM 0 HD22 LEU A 21 9.079 -2.059 -5.609 1.00 31.05 H new ATOM 0 HD23 LEU A 21 10.807 -1.821 -5.256 1.00 31.05 H new ATOM 347 N LEU A 22 8.983 1.816 -1.392 1.00 15.32 N ATOM 348 CA LEU A 22 8.116 2.077 -0.231 1.00 43.23 C ATOM 349 C LEU A 22 7.880 3.580 -0.041 1.00 63.12 C ATOM 350 O LEU A 22 6.778 3.987 0.315 1.00 20.11 O ATOM 351 CB LEU A 22 8.718 1.503 1.068 1.00 11.11 C ATOM 352 CG LEU A 22 8.975 -0.023 1.104 1.00 71.43 C ATOM 353 CD1 LEU A 22 9.581 -0.415 2.468 1.00 13.41 C ATOM 354 CD2 LEU A 22 7.690 -0.832 0.787 1.00 54.44 C ATOM 0 H LEU A 22 9.885 1.408 -1.145 1.00 15.32 H new ATOM 0 HA LEU A 22 7.167 1.581 -0.435 1.00 43.23 H new ATOM 0 HB2 LEU A 22 9.663 2.011 1.258 1.00 11.11 H new ATOM 0 HB3 LEU A 22 8.050 1.754 1.892 1.00 11.11 H new ATOM 0 HG LEU A 22 9.692 -0.274 0.322 1.00 71.43 H new ATOM 0 HD11 LEU A 22 9.761 -1.490 2.491 1.00 13.41 H new ATOM 0 HD12 LEU A 22 10.523 0.114 2.613 1.00 13.41 H new ATOM 0 HD13 LEU A 22 8.888 -0.146 3.265 1.00 13.41 H new ATOM 0 HD21 LEU A 22 7.913 -1.898 0.822 1.00 54.44 H new ATOM 0 HD22 LEU A 22 6.921 -0.598 1.524 1.00 54.44 H new ATOM 0 HD23 LEU A 22 7.331 -0.569 -0.208 1.00 54.44 H new ATOM 366 N GLU A 23 8.935 4.391 -0.285 1.00 55.25 N ATOM 367 CA GLU A 23 8.867 5.858 -0.150 1.00 71.15 C ATOM 368 C GLU A 23 7.833 6.441 -1.138 1.00 62.43 C ATOM 369 O GLU A 23 7.148 7.412 -0.820 1.00 3.43 O ATOM 370 CB GLU A 23 10.258 6.502 -0.372 1.00 4.23 C ATOM 371 CG GLU A 23 10.311 8.016 -0.050 1.00 5.13 C ATOM 372 CD GLU A 23 11.654 8.669 -0.402 1.00 3.01 C ATOM 373 OE1 GLU A 23 12.595 8.605 0.419 1.00 62.41 O ATOM 374 OE2 GLU A 23 11.776 9.252 -1.503 1.00 25.21 O ATOM 0 H GLU A 23 9.849 4.047 -0.579 1.00 55.25 H new ATOM 0 HA GLU A 23 8.548 6.092 0.866 1.00 71.15 H new ATOM 0 HB2 GLU A 23 10.990 5.984 0.248 1.00 4.23 H new ATOM 0 HB3 GLU A 23 10.555 6.351 -1.410 1.00 4.23 H new ATOM 0 HG2 GLU A 23 9.515 8.524 -0.595 1.00 5.13 H new ATOM 0 HG3 GLU A 23 10.113 8.161 1.012 1.00 5.13 H new ATOM 381 N ARG A 24 7.713 5.798 -2.320 1.00 61.02 N ATOM 382 CA ARG A 24 6.662 6.116 -3.311 1.00 63.04 C ATOM 383 C ARG A 24 5.271 5.847 -2.713 1.00 53.24 C ATOM 384 O ARG A 24 4.353 6.659 -2.856 1.00 22.34 O ATOM 385 CB ARG A 24 6.845 5.278 -4.606 1.00 44.15 C ATOM 386 CG ARG A 24 8.114 5.613 -5.414 1.00 43.35 C ATOM 387 CD ARG A 24 8.151 7.087 -5.850 1.00 63.32 C ATOM 388 NE ARG A 24 9.304 7.380 -6.712 1.00 2.30 N ATOM 389 CZ ARG A 24 9.238 7.966 -7.915 1.00 1.10 C ATOM 390 NH1 ARG A 24 8.073 8.343 -8.434 1.00 4.12 N ATOM 391 NH2 ARG A 24 10.350 8.170 -8.596 1.00 14.31 N ATOM 0 H ARG A 24 8.339 5.048 -2.613 1.00 61.02 H new ATOM 0 HA ARG A 24 6.749 7.172 -3.567 1.00 63.04 H new ATOM 0 HB2 ARG A 24 6.869 4.222 -4.339 1.00 44.15 H new ATOM 0 HB3 ARG A 24 5.974 5.426 -5.245 1.00 44.15 H new ATOM 0 HG2 ARG A 24 8.995 5.391 -4.812 1.00 43.35 H new ATOM 0 HG3 ARG A 24 8.161 4.974 -6.295 1.00 43.35 H new ATOM 0 HD2 ARG A 24 7.231 7.331 -6.381 1.00 63.32 H new ATOM 0 HD3 ARG A 24 8.188 7.725 -4.967 1.00 63.32 H new ATOM 0 HE ARG A 24 10.227 7.117 -6.368 1.00 2.30 H new ATOM 0 HH11 ARG A 24 7.209 8.188 -7.915 1.00 4.12 H new ATOM 0 HH12 ARG A 24 8.043 8.788 -9.351 1.00 4.12 H new ATOM 0 HH21 ARG A 24 11.247 7.882 -8.205 1.00 14.31 H new ATOM 0 HH22 ARG A 24 10.312 8.615 -9.513 1.00 14.31 H new ATOM 405 N LEU A 25 5.157 4.711 -1.995 1.00 5.12 N ATOM 406 CA LEU A 25 3.900 4.288 -1.360 1.00 44.51 C ATOM 407 C LEU A 25 3.577 5.226 -0.184 1.00 52.34 C ATOM 408 O LEU A 25 2.416 5.503 0.085 1.00 41.42 O ATOM 409 CB LEU A 25 4.019 2.810 -0.890 1.00 72.41 C ATOM 410 CG LEU A 25 4.328 1.769 -2.020 1.00 75.14 C ATOM 411 CD1 LEU A 25 4.680 0.385 -1.435 1.00 30.33 C ATOM 412 CD2 LEU A 25 3.160 1.682 -3.032 1.00 30.23 C ATOM 0 H LEU A 25 5.932 4.066 -1.842 1.00 5.12 H new ATOM 0 HA LEU A 25 3.083 4.348 -2.079 1.00 44.51 H new ATOM 0 HB2 LEU A 25 4.805 2.748 -0.137 1.00 72.41 H new ATOM 0 HB3 LEU A 25 3.087 2.525 -0.402 1.00 72.41 H new ATOM 0 HG LEU A 25 5.206 2.120 -2.562 1.00 75.14 H new ATOM 0 HD11 LEU A 25 4.888 -0.311 -2.247 1.00 30.33 H new ATOM 0 HD12 LEU A 25 5.560 0.472 -0.798 1.00 30.33 H new ATOM 0 HD13 LEU A 25 3.841 0.015 -0.846 1.00 30.33 H new ATOM 0 HD21 LEU A 25 3.402 0.952 -3.805 1.00 30.23 H new ATOM 0 HD22 LEU A 25 2.252 1.374 -2.514 1.00 30.23 H new ATOM 0 HD23 LEU A 25 3.003 2.658 -3.491 1.00 30.23 H new ATOM 424 N ARG A 26 4.646 5.762 0.453 1.00 30.10 N ATOM 425 CA ARG A 26 4.550 6.696 1.592 1.00 54.13 C ATOM 426 C ARG A 26 3.892 8.003 1.150 1.00 74.44 C ATOM 427 O ARG A 26 2.964 8.481 1.801 1.00 70.14 O ATOM 428 CB ARG A 26 5.968 6.985 2.157 1.00 32.24 C ATOM 429 CG ARG A 26 6.000 7.813 3.467 1.00 53.23 C ATOM 430 CD ARG A 26 7.410 8.333 3.802 1.00 53.43 C ATOM 431 NE ARG A 26 8.434 7.270 3.767 1.00 23.25 N ATOM 432 CZ ARG A 26 9.759 7.479 3.645 1.00 73.43 C ATOM 433 NH1 ARG A 26 10.259 8.711 3.544 1.00 24.13 N ATOM 434 NH2 ARG A 26 10.582 6.450 3.590 1.00 1.32 N ATOM 0 H ARG A 26 5.608 5.553 0.185 1.00 30.10 H new ATOM 0 HA ARG A 26 3.939 6.240 2.371 1.00 54.13 H new ATOM 0 HB2 ARG A 26 6.472 6.035 2.334 1.00 32.24 H new ATOM 0 HB3 ARG A 26 6.544 7.514 1.397 1.00 32.24 H new ATOM 0 HG2 ARG A 26 5.317 8.658 3.376 1.00 53.23 H new ATOM 0 HG3 ARG A 26 5.638 7.198 4.291 1.00 53.23 H new ATOM 0 HD2 ARG A 26 7.681 9.116 3.094 1.00 53.43 H new ATOM 0 HD3 ARG A 26 7.399 8.788 4.792 1.00 53.43 H new ATOM 0 HE ARG A 26 8.114 6.304 3.841 1.00 23.25 H new ATOM 0 HH11 ARG A 26 9.635 9.518 3.558 1.00 24.13 H new ATOM 0 HH12 ARG A 26 11.266 8.847 3.452 1.00 24.13 H new ATOM 0 HH21 ARG A 26 10.215 5.500 3.640 1.00 1.32 H new ATOM 0 HH22 ARG A 26 11.586 6.604 3.498 1.00 1.32 H new ATOM 448 N GLN A 27 4.383 8.547 0.010 1.00 44.11 N ATOM 449 CA GLN A 27 3.870 9.799 -0.576 1.00 21.52 C ATOM 450 C GLN A 27 2.414 9.617 -1.032 1.00 75.04 C ATOM 451 O GLN A 27 1.593 10.525 -0.898 1.00 34.31 O ATOM 452 CB GLN A 27 4.746 10.256 -1.781 1.00 61.02 C ATOM 453 CG GLN A 27 6.256 10.425 -1.492 1.00 34.43 C ATOM 454 CD GLN A 27 6.564 11.256 -0.247 1.00 42.03 C ATOM 455 OE1 GLN A 27 6.673 12.487 -0.307 1.00 42.32 O ATOM 456 NE2 GLN A 27 6.749 10.588 0.884 1.00 73.02 N ATOM 0 H GLN A 27 5.144 8.128 -0.524 1.00 44.11 H new ATOM 0 HA GLN A 27 3.913 10.570 0.193 1.00 21.52 H new ATOM 0 HB2 GLN A 27 4.629 9.531 -2.586 1.00 61.02 H new ATOM 0 HB3 GLN A 27 4.357 11.206 -2.148 1.00 61.02 H new ATOM 0 HG2 GLN A 27 6.706 9.439 -1.378 1.00 34.43 H new ATOM 0 HG3 GLN A 27 6.730 10.893 -2.355 1.00 34.43 H new ATOM 0 HE21 GLN A 27 6.651 9.573 0.899 1.00 73.02 H new ATOM 0 HE22 GLN A 27 6.989 11.090 1.739 1.00 73.02 H new ATOM 465 N LEU A 28 2.118 8.413 -1.555 1.00 42.21 N ATOM 466 CA LEU A 28 0.783 8.049 -2.040 1.00 52.10 C ATOM 467 C LEU A 28 -0.227 8.027 -0.876 1.00 54.02 C ATOM 468 O LEU A 28 -1.260 8.697 -0.937 1.00 55.42 O ATOM 469 CB LEU A 28 0.827 6.669 -2.748 1.00 53.55 C ATOM 470 CG LEU A 28 -0.509 6.204 -3.409 1.00 10.11 C ATOM 471 CD1 LEU A 28 -1.010 7.245 -4.438 1.00 54.30 C ATOM 472 CD2 LEU A 28 -0.360 4.803 -4.039 1.00 24.14 C ATOM 0 H LEU A 28 2.805 7.665 -1.651 1.00 42.21 H new ATOM 0 HA LEU A 28 0.458 8.799 -2.761 1.00 52.10 H new ATOM 0 HB2 LEU A 28 1.600 6.700 -3.516 1.00 53.55 H new ATOM 0 HB3 LEU A 28 1.132 5.917 -2.020 1.00 53.55 H new ATOM 0 HG LEU A 28 -1.265 6.128 -2.627 1.00 10.11 H new ATOM 0 HD11 LEU A 28 -1.942 6.897 -4.884 1.00 54.30 H new ATOM 0 HD12 LEU A 28 -1.181 8.198 -3.938 1.00 54.30 H new ATOM 0 HD13 LEU A 28 -0.261 7.375 -5.219 1.00 54.30 H new ATOM 0 HD21 LEU A 28 -1.306 4.505 -4.492 1.00 24.14 H new ATOM 0 HD22 LEU A 28 0.416 4.829 -4.804 1.00 24.14 H new ATOM 0 HD23 LEU A 28 -0.085 4.084 -3.267 1.00 24.14 H new ATOM 484 N PHE A 29 0.119 7.279 0.194 1.00 10.33 N ATOM 485 CA PHE A 29 -0.721 7.143 1.400 1.00 61.22 C ATOM 486 C PHE A 29 -0.911 8.499 2.099 1.00 62.30 C ATOM 487 O PHE A 29 -1.964 8.746 2.677 1.00 22.44 O ATOM 488 CB PHE A 29 -0.113 6.120 2.397 1.00 70.21 C ATOM 489 CG PHE A 29 -0.100 4.662 1.935 1.00 52.45 C ATOM 490 CD1 PHE A 29 -1.207 4.101 1.302 1.00 4.52 C ATOM 491 CD2 PHE A 29 1.019 3.848 2.147 1.00 41.45 C ATOM 492 CE1 PHE A 29 -1.192 2.782 0.896 1.00 14.51 C ATOM 493 CE2 PHE A 29 1.022 2.531 1.739 1.00 41.34 C ATOM 494 CZ PHE A 29 -0.079 2.001 1.114 1.00 0.14 C ATOM 0 H PHE A 29 0.991 6.752 0.244 1.00 10.33 H new ATOM 0 HA PHE A 29 -1.695 6.776 1.075 1.00 61.22 H new ATOM 0 HB2 PHE A 29 0.912 6.420 2.616 1.00 70.21 H new ATOM 0 HB3 PHE A 29 -0.669 6.179 3.332 1.00 70.21 H new ATOM 0 HD1 PHE A 29 -2.086 4.704 1.127 1.00 4.52 H new ATOM 0 HD2 PHE A 29 1.891 4.257 2.636 1.00 41.45 H new ATOM 0 HE1 PHE A 29 -2.057 2.361 0.405 1.00 14.51 H new ATOM 0 HE2 PHE A 29 1.892 1.915 1.912 1.00 41.34 H new ATOM 0 HZ PHE A 29 -0.072 0.970 0.793 1.00 0.14 H new ATOM 504 N GLU A 30 0.133 9.355 2.047 1.00 40.52 N ATOM 505 CA GLU A 30 0.085 10.743 2.556 1.00 64.54 C ATOM 506 C GLU A 30 -0.913 11.602 1.749 1.00 40.01 C ATOM 507 O GLU A 30 -1.642 12.424 2.313 1.00 34.34 O ATOM 508 CB GLU A 30 1.510 11.378 2.524 1.00 71.31 C ATOM 509 CG GLU A 30 2.349 11.140 3.798 1.00 31.25 C ATOM 510 CD GLU A 30 1.820 11.944 5.005 1.00 73.32 C ATOM 511 OE1 GLU A 30 1.989 13.187 5.017 1.00 71.23 O ATOM 512 OE2 GLU A 30 1.232 11.361 5.936 1.00 53.11 O ATOM 0 H GLU A 30 1.037 9.101 1.649 1.00 40.52 H new ATOM 0 HA GLU A 30 -0.263 10.714 3.588 1.00 64.54 H new ATOM 0 HB2 GLU A 30 2.053 10.978 1.668 1.00 71.31 H new ATOM 0 HB3 GLU A 30 1.411 12.452 2.365 1.00 71.31 H new ATOM 0 HG2 GLU A 30 2.343 10.077 4.041 1.00 31.25 H new ATOM 0 HG3 GLU A 30 3.385 11.417 3.605 1.00 31.25 H new ATOM 519 N GLU A 31 -0.945 11.377 0.427 1.00 34.53 N ATOM 520 CA GLU A 31 -1.841 12.091 -0.499 1.00 23.22 C ATOM 521 C GLU A 31 -3.300 11.612 -0.318 1.00 12.44 C ATOM 522 O GLU A 31 -4.249 12.312 -0.648 1.00 0.52 O ATOM 523 CB GLU A 31 -1.369 11.859 -1.954 1.00 15.34 C ATOM 524 CG GLU A 31 -2.117 12.688 -3.014 1.00 3.43 C ATOM 525 CD GLU A 31 -1.794 12.248 -4.444 1.00 45.43 C ATOM 526 OE1 GLU A 31 -2.565 11.448 -5.019 1.00 3.14 O ATOM 527 OE2 GLU A 31 -0.768 12.689 -4.996 1.00 12.44 O ATOM 0 H GLU A 31 -0.347 10.691 -0.034 1.00 34.53 H new ATOM 0 HA GLU A 31 -1.807 13.158 -0.279 1.00 23.22 H new ATOM 0 HB2 GLU A 31 -0.305 12.089 -2.017 1.00 15.34 H new ATOM 0 HB3 GLU A 31 -1.482 10.802 -2.194 1.00 15.34 H new ATOM 0 HG2 GLU A 31 -3.190 12.602 -2.846 1.00 3.43 H new ATOM 0 HG3 GLU A 31 -1.859 13.740 -2.895 1.00 3.43 H new ATOM 534 N LEU A 32 -3.460 10.388 0.193 1.00 22.33 N ATOM 535 CA LEU A 32 -4.778 9.809 0.515 1.00 13.15 C ATOM 536 C LEU A 32 -5.216 10.234 1.943 1.00 62.53 C ATOM 537 O LEU A 32 -6.404 10.456 2.217 1.00 0.02 O ATOM 538 CB LEU A 32 -4.687 8.267 0.370 1.00 33.20 C ATOM 539 CG LEU A 32 -4.262 7.756 -1.052 1.00 33.03 C ATOM 540 CD1 LEU A 32 -4.070 6.224 -1.097 1.00 64.52 C ATOM 541 CD2 LEU A 32 -5.253 8.237 -2.125 1.00 61.43 C ATOM 0 H LEU A 32 -2.679 9.764 0.398 1.00 22.33 H new ATOM 0 HA LEU A 32 -5.537 10.180 -0.174 1.00 13.15 H new ATOM 0 HB2 LEU A 32 -3.973 7.890 1.103 1.00 33.20 H new ATOM 0 HB3 LEU A 32 -5.657 7.836 0.619 1.00 33.20 H new ATOM 0 HG LEU A 32 -3.287 8.192 -1.273 1.00 33.03 H new ATOM 0 HD11 LEU A 32 -3.777 5.923 -2.103 1.00 64.52 H new ATOM 0 HD12 LEU A 32 -3.293 5.934 -0.390 1.00 64.52 H new ATOM 0 HD13 LEU A 32 -5.005 5.732 -0.830 1.00 64.52 H new ATOM 0 HD21 LEU A 32 -4.938 7.871 -3.102 1.00 61.43 H new ATOM 0 HD22 LEU A 32 -6.248 7.855 -1.898 1.00 61.43 H new ATOM 0 HD23 LEU A 32 -5.276 9.327 -2.136 1.00 61.43 H new ATOM 553 N HIS A 33 -4.200 10.398 2.813 1.00 64.40 N ATOM 554 CA HIS A 33 -4.337 10.778 4.239 1.00 22.15 C ATOM 555 C HIS A 33 -5.044 12.128 4.400 1.00 62.34 C ATOM 556 O HIS A 33 -5.867 12.285 5.306 1.00 31.33 O ATOM 557 CB HIS A 33 -2.913 10.814 4.867 1.00 14.32 C ATOM 558 CG HIS A 33 -2.772 11.327 6.276 1.00 21.03 C ATOM 559 ND1 HIS A 33 -1.613 11.922 6.719 1.00 55.13 N ATOM 560 CD2 HIS A 33 -3.608 11.319 7.338 1.00 21.42 C ATOM 561 CE1 HIS A 33 -1.748 12.259 7.976 1.00 50.34 C ATOM 562 NE2 HIS A 33 -2.944 11.906 8.379 1.00 24.21 N ATOM 0 H HIS A 33 -3.227 10.266 2.536 1.00 64.40 H new ATOM 0 HA HIS A 33 -4.956 10.043 4.754 1.00 22.15 H new ATOM 0 HB2 HIS A 33 -2.511 9.801 4.839 1.00 14.32 H new ATOM 0 HB3 HIS A 33 -2.280 11.426 4.224 1.00 14.32 H new ATOM 0 HD1 HIS A 33 -0.778 12.076 6.155 1.00 55.13 H new ATOM 0 HD2 HIS A 33 -4.613 10.923 7.360 1.00 21.42 H new ATOM 0 HE1 HIS A 33 -0.998 12.747 8.581 1.00 50.34 H new ATOM 571 N GLU A 34 -4.738 13.073 3.490 1.00 20.11 N ATOM 572 CA GLU A 34 -5.293 14.448 3.526 1.00 44.51 C ATOM 573 C GLU A 34 -6.842 14.456 3.519 1.00 13.15 C ATOM 574 O GLU A 34 -7.470 15.392 4.030 1.00 1.35 O ATOM 575 CB GLU A 34 -4.750 15.279 2.329 1.00 14.13 C ATOM 576 CG GLU A 34 -5.220 14.788 0.945 1.00 44.31 C ATOM 577 CD GLU A 34 -4.735 15.669 -0.221 1.00 23.31 C ATOM 578 OE1 GLU A 34 -3.737 15.315 -0.886 1.00 53.31 O ATOM 579 OE2 GLU A 34 -5.357 16.723 -0.477 1.00 33.30 O ATOM 0 H GLU A 34 -4.101 12.910 2.710 1.00 20.11 H new ATOM 0 HA GLU A 34 -4.969 14.902 4.462 1.00 44.51 H new ATOM 0 HB2 GLU A 34 -5.056 16.317 2.455 1.00 14.13 H new ATOM 0 HB3 GLU A 34 -3.660 15.262 2.356 1.00 14.13 H new ATOM 0 HG2 GLU A 34 -4.865 13.769 0.791 1.00 44.31 H new ATOM 0 HG3 GLU A 34 -6.309 14.752 0.933 1.00 44.31 H new ATOM 586 N ARG A 35 -7.445 13.401 2.926 1.00 34.23 N ATOM 587 CA ARG A 35 -8.910 13.246 2.839 1.00 25.42 C ATOM 588 C ARG A 35 -9.392 12.004 3.618 1.00 62.20 C ATOM 589 O ARG A 35 -10.597 11.814 3.794 1.00 4.25 O ATOM 590 CB ARG A 35 -9.327 13.210 1.345 1.00 74.14 C ATOM 591 CG ARG A 35 -8.618 12.131 0.488 1.00 32.32 C ATOM 592 CD ARG A 35 -8.766 12.387 -1.024 1.00 74.14 C ATOM 593 NE ARG A 35 -10.177 12.374 -1.465 1.00 64.42 N ATOM 594 CZ ARG A 35 -10.800 13.359 -2.137 1.00 62.32 C ATOM 595 NH1 ARG A 35 -10.159 14.476 -2.468 1.00 11.15 N ATOM 596 NH2 ARG A 35 -12.074 13.210 -2.488 1.00 22.41 N ATOM 0 H ARG A 35 -6.928 12.635 2.495 1.00 34.23 H new ATOM 0 HA ARG A 35 -9.396 14.100 3.311 1.00 25.42 H new ATOM 0 HB2 ARG A 35 -10.403 13.047 1.289 1.00 74.14 H new ATOM 0 HB3 ARG A 35 -9.130 14.188 0.906 1.00 74.14 H new ATOM 0 HG2 ARG A 35 -7.559 12.104 0.747 1.00 32.32 H new ATOM 0 HG3 ARG A 35 -9.030 11.151 0.729 1.00 32.32 H new ATOM 0 HD2 ARG A 35 -8.320 13.350 -1.271 1.00 74.14 H new ATOM 0 HD3 ARG A 35 -8.210 11.628 -1.574 1.00 74.14 H new ATOM 0 HE ARG A 35 -10.727 11.545 -1.240 1.00 64.42 H new ATOM 0 HH11 ARG A 35 -9.179 14.596 -2.212 1.00 11.15 H new ATOM 0 HH12 ARG A 35 -10.647 15.212 -2.978 1.00 11.15 H new ATOM 0 HH21 ARG A 35 -12.572 12.353 -2.248 1.00 22.41 H new ATOM 0 HH22 ARG A 35 -12.553 13.953 -2.998 1.00 22.41 H new ATOM 610 N GLY A 36 -8.432 11.173 4.084 1.00 51.41 N ATOM 611 CA GLY A 36 -8.719 9.995 4.920 1.00 31.45 C ATOM 612 C GLY A 36 -9.594 8.950 4.233 1.00 74.30 C ATOM 613 O GLY A 36 -10.426 8.305 4.882 1.00 52.15 O ATOM 0 H GLY A 36 -7.439 11.304 3.889 1.00 51.41 H new ATOM 0 HA2 GLY A 36 -7.777 9.531 5.213 1.00 31.45 H new ATOM 0 HA3 GLY A 36 -9.211 10.322 5.836 1.00 31.45 H new ATOM 617 N THR A 37 -9.378 8.770 2.916 1.00 70.43 N ATOM 618 CA THR A 37 -10.190 7.870 2.066 1.00 72.41 C ATOM 619 C THR A 37 -9.958 6.383 2.422 1.00 31.22 C ATOM 620 O THR A 37 -8.986 6.039 3.112 1.00 21.33 O ATOM 621 CB THR A 37 -9.897 8.113 0.539 1.00 22.30 C ATOM 622 OG1 THR A 37 -10.653 7.206 -0.287 1.00 35.52 O ATOM 623 CG2 THR A 37 -8.402 7.977 0.200 1.00 53.12 C ATOM 0 H THR A 37 -8.633 9.246 2.407 1.00 70.43 H new ATOM 0 HA THR A 37 -11.236 8.106 2.262 1.00 72.41 H new ATOM 0 HB THR A 37 -10.203 9.138 0.331 1.00 22.30 H new ATOM 0 HG1 THR A 37 -10.454 7.380 -1.231 1.00 35.52 H new ATOM 0 HG21 THR A 37 -8.253 8.154 -0.865 1.00 53.12 H new ATOM 0 HG22 THR A 37 -7.831 8.708 0.773 1.00 53.12 H new ATOM 0 HG23 THR A 37 -8.062 6.973 0.452 1.00 53.12 H new ATOM 631 N GLU A 38 -10.874 5.516 1.945 1.00 71.33 N ATOM 632 CA GLU A 38 -10.785 4.062 2.143 1.00 53.25 C ATOM 633 C GLU A 38 -9.710 3.455 1.227 1.00 44.32 C ATOM 634 O GLU A 38 -9.936 3.240 0.035 1.00 3.14 O ATOM 635 CB GLU A 38 -12.169 3.373 1.956 1.00 21.10 C ATOM 636 CG GLU A 38 -12.959 3.728 0.687 1.00 32.12 C ATOM 637 CD GLU A 38 -14.322 3.011 0.652 1.00 65.02 C ATOM 638 OE1 GLU A 38 -15.252 3.459 1.350 1.00 44.23 O ATOM 639 OE2 GLU A 38 -14.460 1.978 -0.041 1.00 45.44 O ATOM 0 H GLU A 38 -11.694 5.807 1.413 1.00 71.33 H new ATOM 0 HA GLU A 38 -10.482 3.878 3.174 1.00 53.25 H new ATOM 0 HB2 GLU A 38 -12.015 2.294 1.968 1.00 21.10 H new ATOM 0 HB3 GLU A 38 -12.788 3.616 2.820 1.00 21.10 H new ATOM 0 HG2 GLU A 38 -13.113 4.806 0.642 1.00 32.12 H new ATOM 0 HG3 GLU A 38 -12.379 3.452 -0.193 1.00 32.12 H new ATOM 646 N ILE A 39 -8.533 3.199 1.813 1.00 31.03 N ATOM 647 CA ILE A 39 -7.368 2.666 1.101 1.00 63.34 C ATOM 648 C ILE A 39 -7.354 1.140 1.251 1.00 44.33 C ATOM 649 O ILE A 39 -7.146 0.618 2.354 1.00 1.34 O ATOM 650 CB ILE A 39 -6.014 3.236 1.671 1.00 41.53 C ATOM 651 CG1 ILE A 39 -6.059 4.786 1.825 1.00 61.55 C ATOM 652 CG2 ILE A 39 -4.827 2.804 0.779 1.00 13.44 C ATOM 653 CD1 ILE A 39 -4.843 5.373 2.534 1.00 1.15 C ATOM 0 H ILE A 39 -8.363 3.359 2.806 1.00 31.03 H new ATOM 0 HA ILE A 39 -7.449 2.964 0.056 1.00 63.34 H new ATOM 0 HB ILE A 39 -5.871 2.817 2.667 1.00 41.53 H new ATOM 0 HG12 ILE A 39 -6.143 5.237 0.836 1.00 61.55 H new ATOM 0 HG13 ILE A 39 -6.957 5.060 2.378 1.00 61.55 H new ATOM 0 HG21 ILE A 39 -3.900 3.206 1.187 1.00 13.44 H new ATOM 0 HG22 ILE A 39 -4.769 1.716 0.752 1.00 13.44 H new ATOM 0 HG23 ILE A 39 -4.974 3.185 -0.232 1.00 13.44 H new ATOM 0 HD11 ILE A 39 -4.949 6.456 2.602 1.00 1.15 H new ATOM 0 HD12 ILE A 39 -4.768 4.952 3.537 1.00 1.15 H new ATOM 0 HD13 ILE A 39 -3.942 5.132 1.971 1.00 1.15 H new ATOM 665 N VAL A 40 -7.606 0.434 0.148 1.00 31.13 N ATOM 666 CA VAL A 40 -7.557 -1.026 0.106 1.00 12.12 C ATOM 667 C VAL A 40 -6.221 -1.433 -0.520 1.00 30.42 C ATOM 668 O VAL A 40 -6.024 -1.300 -1.727 1.00 14.32 O ATOM 669 CB VAL A 40 -8.761 -1.641 -0.704 1.00 71.45 C ATOM 670 CG1 VAL A 40 -8.727 -3.192 -0.666 1.00 51.11 C ATOM 671 CG2 VAL A 40 -10.112 -1.081 -0.188 1.00 30.21 C ATOM 0 H VAL A 40 -7.851 0.862 -0.745 1.00 31.13 H new ATOM 0 HA VAL A 40 -7.643 -1.415 1.121 1.00 12.12 H new ATOM 0 HB VAL A 40 -8.659 -1.344 -1.748 1.00 71.45 H new ATOM 0 HG11 VAL A 40 -9.569 -3.588 -1.233 1.00 51.11 H new ATOM 0 HG12 VAL A 40 -7.795 -3.546 -1.106 1.00 51.11 H new ATOM 0 HG13 VAL A 40 -8.793 -3.532 0.367 1.00 51.11 H new ATOM 0 HG21 VAL A 40 -10.930 -1.518 -0.761 1.00 30.21 H new ATOM 0 HG22 VAL A 40 -10.232 -1.333 0.866 1.00 30.21 H new ATOM 0 HG23 VAL A 40 -10.126 0.003 -0.306 1.00 30.21 H new ATOM 681 N VAL A 41 -5.294 -1.891 0.320 1.00 2.43 N ATOM 682 CA VAL A 41 -3.965 -2.333 -0.100 1.00 34.04 C ATOM 683 C VAL A 41 -4.013 -3.841 -0.378 1.00 41.41 C ATOM 684 O VAL A 41 -4.487 -4.626 0.452 1.00 23.24 O ATOM 685 CB VAL A 41 -2.890 -1.996 0.994 1.00 12.22 C ATOM 686 CG1 VAL A 41 -1.499 -2.560 0.627 1.00 3.12 C ATOM 687 CG2 VAL A 41 -2.831 -0.468 1.227 1.00 30.41 C ATOM 0 H VAL A 41 -5.447 -1.967 1.326 1.00 2.43 H new ATOM 0 HA VAL A 41 -3.676 -1.805 -1.009 1.00 34.04 H new ATOM 0 HB VAL A 41 -3.191 -2.480 1.923 1.00 12.22 H new ATOM 0 HG11 VAL A 41 -0.785 -2.305 1.410 1.00 3.12 H new ATOM 0 HG12 VAL A 41 -1.560 -3.644 0.531 1.00 3.12 H new ATOM 0 HG13 VAL A 41 -1.170 -2.130 -0.319 1.00 3.12 H new ATOM 0 HG21 VAL A 41 -2.083 -0.245 1.987 1.00 30.41 H new ATOM 0 HG22 VAL A 41 -2.563 0.032 0.296 1.00 30.41 H new ATOM 0 HG23 VAL A 41 -3.806 -0.113 1.562 1.00 30.41 H new ATOM 697 N GLU A 42 -3.538 -4.214 -1.562 1.00 61.23 N ATOM 698 CA GLU A 42 -3.659 -5.557 -2.109 1.00 54.33 C ATOM 699 C GLU A 42 -2.331 -5.924 -2.779 1.00 4.02 C ATOM 700 O GLU A 42 -1.921 -5.276 -3.739 1.00 75.44 O ATOM 701 CB GLU A 42 -4.831 -5.592 -3.118 1.00 4.32 C ATOM 702 CG GLU A 42 -5.140 -6.985 -3.717 1.00 5.31 C ATOM 703 CD GLU A 42 -6.332 -7.000 -4.693 1.00 32.03 C ATOM 704 OE1 GLU A 42 -6.652 -8.078 -5.233 1.00 33.20 O ATOM 705 OE2 GLU A 42 -6.952 -5.947 -4.935 1.00 61.11 O ATOM 0 H GLU A 42 -3.045 -3.572 -2.183 1.00 61.23 H new ATOM 0 HA GLU A 42 -3.870 -6.283 -1.324 1.00 54.33 H new ATOM 0 HB2 GLU A 42 -5.728 -5.220 -2.623 1.00 4.32 H new ATOM 0 HB3 GLU A 42 -4.608 -4.904 -3.934 1.00 4.32 H new ATOM 0 HG2 GLU A 42 -4.254 -7.350 -4.237 1.00 5.31 H new ATOM 0 HG3 GLU A 42 -5.342 -7.682 -2.903 1.00 5.31 H new ATOM 712 N VAL A 43 -1.625 -6.920 -2.239 1.00 54.32 N ATOM 713 CA VAL A 43 -0.355 -7.402 -2.817 1.00 14.25 C ATOM 714 C VAL A 43 -0.588 -8.787 -3.458 1.00 62.52 C ATOM 715 O VAL A 43 -1.367 -9.585 -2.942 1.00 54.11 O ATOM 716 CB VAL A 43 0.783 -7.477 -1.723 1.00 61.32 C ATOM 717 CG1 VAL A 43 2.142 -7.874 -2.341 1.00 23.45 C ATOM 718 CG2 VAL A 43 0.897 -6.142 -0.938 1.00 44.12 C ATOM 0 H VAL A 43 -1.909 -7.416 -1.395 1.00 54.32 H new ATOM 0 HA VAL A 43 -0.023 -6.697 -3.579 1.00 14.25 H new ATOM 0 HB VAL A 43 0.503 -8.259 -1.017 1.00 61.32 H new ATOM 0 HG11 VAL A 43 2.899 -7.915 -1.558 1.00 23.45 H new ATOM 0 HG12 VAL A 43 2.055 -8.852 -2.814 1.00 23.45 H new ATOM 0 HG13 VAL A 43 2.432 -7.135 -3.088 1.00 23.45 H new ATOM 0 HG21 VAL A 43 1.688 -6.225 -0.193 1.00 44.12 H new ATOM 0 HG22 VAL A 43 1.132 -5.333 -1.629 1.00 44.12 H new ATOM 0 HG23 VAL A 43 -0.049 -5.931 -0.440 1.00 44.12 H new ATOM 728 N HIS A 44 0.043 -9.031 -4.613 1.00 2.12 N ATOM 729 CA HIS A 44 0.044 -10.335 -5.301 1.00 43.14 C ATOM 730 C HIS A 44 1.498 -10.683 -5.623 1.00 72.02 C ATOM 731 O HIS A 44 2.133 -9.973 -6.409 1.00 73.22 O ATOM 732 CB HIS A 44 -0.776 -10.284 -6.621 1.00 53.44 C ATOM 733 CG HIS A 44 -2.242 -10.011 -6.455 1.00 21.24 C ATOM 734 ND1 HIS A 44 -3.177 -11.014 -6.335 1.00 54.43 N ATOM 735 CD2 HIS A 44 -2.941 -8.850 -6.441 1.00 4.42 C ATOM 736 CE1 HIS A 44 -4.377 -10.488 -6.263 1.00 63.55 C ATOM 737 NE2 HIS A 44 -4.261 -9.181 -6.322 1.00 43.31 N ATOM 0 H HIS A 44 0.578 -8.317 -5.107 1.00 2.12 H new ATOM 0 HA HIS A 44 -0.415 -11.085 -4.657 1.00 43.14 H new ATOM 0 HB2 HIS A 44 -0.350 -9.514 -7.264 1.00 53.44 H new ATOM 0 HB3 HIS A 44 -0.657 -11.235 -7.140 1.00 53.44 H new ATOM 0 HD2 HIS A 44 -2.532 -7.853 -6.511 1.00 4.42 H new ATOM 0 HE1 HIS A 44 -5.303 -11.037 -6.171 1.00 63.55 H new ATOM 0 HE2 HIS A 44 -5.035 -8.518 -6.285 1.00 43.31 H new ATOM 746 N ILE A 45 2.053 -11.719 -4.980 1.00 41.43 N ATOM 747 CA ILE A 45 3.413 -12.208 -5.288 1.00 14.43 C ATOM 748 C ILE A 45 3.428 -13.747 -5.315 1.00 13.43 C ATOM 749 O ILE A 45 3.117 -14.384 -4.306 1.00 12.01 O ATOM 750 CB ILE A 45 4.509 -11.685 -4.274 1.00 11.42 C ATOM 751 CG1 ILE A 45 4.486 -10.127 -4.161 1.00 60.15 C ATOM 752 CG2 ILE A 45 5.924 -12.175 -4.700 1.00 64.33 C ATOM 753 CD1 ILE A 45 5.448 -9.545 -3.147 1.00 24.04 C ATOM 0 H ILE A 45 1.583 -12.240 -4.240 1.00 41.43 H new ATOM 0 HA ILE A 45 3.670 -11.809 -6.269 1.00 14.43 H new ATOM 0 HB ILE A 45 4.274 -12.095 -3.292 1.00 11.42 H new ATOM 0 HG12 ILE A 45 4.713 -9.703 -5.139 1.00 60.15 H new ATOM 0 HG13 ILE A 45 3.475 -9.811 -3.903 1.00 60.15 H new ATOM 0 HG21 ILE A 45 6.665 -11.806 -3.991 1.00 64.33 H new ATOM 0 HG22 ILE A 45 5.944 -13.265 -4.711 1.00 64.33 H new ATOM 0 HG23 ILE A 45 6.155 -11.798 -5.696 1.00 64.33 H new ATOM 0 HD11 ILE A 45 5.358 -8.459 -3.142 1.00 24.04 H new ATOM 0 HD12 ILE A 45 5.211 -9.933 -2.156 1.00 24.04 H new ATOM 0 HD13 ILE A 45 6.468 -9.824 -3.412 1.00 24.04 H new ATOM 765 N ASN A 46 3.752 -14.318 -6.508 1.00 5.14 N ATOM 766 CA ASN A 46 3.982 -15.778 -6.733 1.00 2.44 C ATOM 767 C ASN A 46 2.694 -16.620 -6.655 1.00 41.40 C ATOM 768 O ASN A 46 2.756 -17.846 -6.799 1.00 62.23 O ATOM 769 CB ASN A 46 5.034 -16.353 -5.733 1.00 65.02 C ATOM 770 CG ASN A 46 6.403 -15.681 -5.803 1.00 34.14 C ATOM 771 OD1 ASN A 46 6.888 -15.325 -6.877 1.00 24.25 O ATOM 772 ND2 ASN A 46 7.028 -15.478 -4.651 1.00 33.51 N ATOM 0 H ASN A 46 3.863 -13.767 -7.359 1.00 5.14 H new ATOM 0 HA ASN A 46 4.364 -15.853 -7.751 1.00 2.44 H new ATOM 0 HB2 ASN A 46 4.646 -16.254 -4.719 1.00 65.02 H new ATOM 0 HB3 ASN A 46 5.156 -17.419 -5.925 1.00 65.02 H new ATOM 0 HD21 ASN A 46 7.937 -15.015 -4.639 1.00 33.51 H new ATOM 0 HD22 ASN A 46 6.600 -15.785 -3.778 1.00 33.51 H new ATOM 779 N GLY A 47 1.538 -15.967 -6.452 1.00 53.41 N ATOM 780 CA GLY A 47 0.268 -16.663 -6.199 1.00 13.21 C ATOM 781 C GLY A 47 -0.325 -16.283 -4.853 1.00 25.12 C ATOM 782 O GLY A 47 -1.528 -16.447 -4.632 1.00 11.42 O ATOM 0 H GLY A 47 1.458 -14.950 -6.459 1.00 53.41 H new ATOM 0 HA2 GLY A 47 -0.442 -16.422 -6.990 1.00 13.21 H new ATOM 0 HA3 GLY A 47 0.431 -17.740 -6.233 1.00 13.21 H new ATOM 786 N GLU A 48 0.530 -15.755 -3.958 1.00 14.24 N ATOM 787 CA GLU A 48 0.128 -15.308 -2.617 1.00 51.50 C ATOM 788 C GLU A 48 -0.537 -13.933 -2.723 1.00 64.45 C ATOM 789 O GLU A 48 -0.062 -13.072 -3.468 1.00 42.50 O ATOM 790 CB GLU A 48 1.376 -15.224 -1.690 1.00 74.33 C ATOM 791 CG GLU A 48 2.136 -16.554 -1.516 1.00 70.13 C ATOM 792 CD GLU A 48 1.310 -17.623 -0.780 1.00 32.01 C ATOM 793 OE1 GLU A 48 1.379 -17.681 0.466 1.00 20.13 O ATOM 794 OE2 GLU A 48 0.583 -18.401 -1.438 1.00 5.42 O ATOM 0 H GLU A 48 1.524 -15.627 -4.148 1.00 14.24 H new ATOM 0 HA GLU A 48 -0.578 -16.021 -2.192 1.00 51.50 H new ATOM 0 HB2 GLU A 48 2.062 -14.479 -2.092 1.00 74.33 H new ATOM 0 HB3 GLU A 48 1.060 -14.870 -0.709 1.00 74.33 H new ATOM 0 HG2 GLU A 48 2.422 -16.934 -2.497 1.00 70.13 H new ATOM 0 HG3 GLU A 48 3.058 -16.370 -0.964 1.00 70.13 H new ATOM 801 N ARG A 49 -1.635 -13.730 -1.989 1.00 3.43 N ATOM 802 CA ARG A 49 -2.346 -12.442 -1.978 1.00 63.43 C ATOM 803 C ARG A 49 -2.405 -11.873 -0.553 1.00 54.01 C ATOM 804 O ARG A 49 -2.356 -12.611 0.438 1.00 74.41 O ATOM 805 CB ARG A 49 -3.766 -12.577 -2.597 1.00 33.13 C ATOM 806 CG ARG A 49 -4.786 -13.376 -1.755 1.00 32.43 C ATOM 807 CD ARG A 49 -6.126 -13.589 -2.484 1.00 41.03 C ATOM 808 NE ARG A 49 -5.959 -14.411 -3.698 1.00 12.12 N ATOM 809 CZ ARG A 49 -6.329 -14.069 -4.946 1.00 32.44 C ATOM 810 NH1 ARG A 49 -6.906 -12.895 -5.194 1.00 53.25 N ATOM 811 NH2 ARG A 49 -6.096 -14.912 -5.943 1.00 30.34 N ATOM 0 H ARG A 49 -2.054 -14.442 -1.392 1.00 3.43 H new ATOM 0 HA ARG A 49 -1.790 -11.739 -2.598 1.00 63.43 H new ATOM 0 HB2 ARG A 49 -4.166 -11.577 -2.767 1.00 33.13 H new ATOM 0 HB3 ARG A 49 -3.674 -13.054 -3.573 1.00 33.13 H new ATOM 0 HG2 ARG A 49 -4.359 -14.346 -1.499 1.00 32.43 H new ATOM 0 HG3 ARG A 49 -4.967 -12.850 -0.818 1.00 32.43 H new ATOM 0 HD2 ARG A 49 -6.834 -14.072 -1.811 1.00 41.03 H new ATOM 0 HD3 ARG A 49 -6.552 -12.623 -2.754 1.00 41.03 H new ATOM 0 HE ARG A 49 -5.522 -15.325 -3.580 1.00 12.12 H new ATOM 0 HH11 ARG A 49 -7.074 -12.238 -4.432 1.00 53.25 H new ATOM 0 HH12 ARG A 49 -7.180 -12.652 -6.146 1.00 53.25 H new ATOM 0 HH21 ARG A 49 -5.642 -15.807 -5.759 1.00 30.34 H new ATOM 0 HH22 ARG A 49 -6.371 -14.666 -6.894 1.00 30.34 H new ATOM 825 N ASP A 50 -2.496 -10.546 -0.492 1.00 13.34 N ATOM 826 CA ASP A 50 -2.596 -9.756 0.738 1.00 64.13 C ATOM 827 C ASP A 50 -3.746 -8.761 0.539 1.00 34.43 C ATOM 828 O ASP A 50 -3.883 -8.217 -0.554 1.00 61.13 O ATOM 829 CB ASP A 50 -1.242 -9.024 0.988 1.00 33.35 C ATOM 830 CG ASP A 50 -1.216 -8.089 2.215 1.00 63.22 C ATOM 831 OD1 ASP A 50 -0.427 -7.114 2.225 1.00 21.44 O ATOM 832 OD2 ASP A 50 -1.941 -8.348 3.205 1.00 54.12 O ATOM 0 H ASP A 50 -2.503 -9.966 -1.331 1.00 13.34 H new ATOM 0 HA ASP A 50 -2.797 -10.380 1.609 1.00 64.13 H new ATOM 0 HB2 ASP A 50 -0.459 -9.773 1.106 1.00 33.35 H new ATOM 0 HB3 ASP A 50 -0.994 -8.440 0.101 1.00 33.35 H new ATOM 837 N GLU A 51 -4.592 -8.568 1.560 1.00 74.23 N ATOM 838 CA GLU A 51 -5.739 -7.645 1.480 1.00 0.11 C ATOM 839 C GLU A 51 -5.934 -6.942 2.831 1.00 54.23 C ATOM 840 O GLU A 51 -6.171 -7.601 3.850 1.00 3.33 O ATOM 841 CB GLU A 51 -7.014 -8.413 1.074 1.00 3.44 C ATOM 842 CG GLU A 51 -8.260 -7.518 0.906 1.00 21.12 C ATOM 843 CD GLU A 51 -9.534 -8.327 0.652 1.00 22.20 C ATOM 844 OE1 GLU A 51 -9.754 -8.757 -0.497 1.00 12.50 O ATOM 845 OE2 GLU A 51 -10.306 -8.559 1.608 1.00 42.43 O ATOM 0 H GLU A 51 -4.504 -9.042 2.459 1.00 74.23 H new ATOM 0 HA GLU A 51 -5.540 -6.890 0.719 1.00 0.11 H new ATOM 0 HB2 GLU A 51 -6.827 -8.937 0.137 1.00 3.44 H new ATOM 0 HB3 GLU A 51 -7.224 -9.172 1.827 1.00 3.44 H new ATOM 0 HG2 GLU A 51 -8.391 -6.912 1.802 1.00 21.12 H new ATOM 0 HG3 GLU A 51 -8.099 -6.830 0.076 1.00 21.12 H new ATOM 852 N ILE A 52 -5.824 -5.603 2.828 1.00 12.44 N ATOM 853 CA ILE A 52 -5.903 -4.746 4.030 1.00 20.03 C ATOM 854 C ILE A 52 -6.780 -3.530 3.667 1.00 51.32 C ATOM 855 O ILE A 52 -6.483 -2.848 2.693 1.00 13.53 O ATOM 856 CB ILE A 52 -4.468 -4.224 4.458 1.00 14.42 C ATOM 857 CG1 ILE A 52 -3.391 -5.357 4.383 1.00 22.44 C ATOM 858 CG2 ILE A 52 -4.513 -3.604 5.881 1.00 73.13 C ATOM 859 CD1 ILE A 52 -1.967 -4.861 4.428 1.00 1.43 C ATOM 0 H ILE A 52 -5.674 -5.071 1.971 1.00 12.44 H new ATOM 0 HA ILE A 52 -6.318 -5.319 4.859 1.00 20.03 H new ATOM 0 HB ILE A 52 -4.177 -3.449 3.749 1.00 14.42 H new ATOM 0 HG12 ILE A 52 -3.549 -6.049 5.211 1.00 22.44 H new ATOM 0 HG13 ILE A 52 -3.538 -5.922 3.463 1.00 22.44 H new ATOM 0 HG21 ILE A 52 -3.519 -3.252 6.156 1.00 73.13 H new ATOM 0 HG22 ILE A 52 -5.210 -2.766 5.891 1.00 73.13 H new ATOM 0 HG23 ILE A 52 -4.842 -4.358 6.596 1.00 73.13 H new ATOM 0 HD11 ILE A 52 -1.284 -5.709 4.371 1.00 1.43 H new ATOM 0 HD12 ILE A 52 -1.787 -4.193 3.585 1.00 1.43 H new ATOM 0 HD13 ILE A 52 -1.799 -4.322 5.360 1.00 1.43 H new ATOM 871 N ARG A 53 -7.868 -3.275 4.411 1.00 45.51 N ATOM 872 CA ARG A 53 -8.773 -2.130 4.152 1.00 30.31 C ATOM 873 C ARG A 53 -8.711 -1.176 5.362 1.00 31.12 C ATOM 874 O ARG A 53 -9.029 -1.587 6.486 1.00 23.22 O ATOM 875 CB ARG A 53 -10.253 -2.593 3.918 1.00 51.21 C ATOM 876 CG ARG A 53 -10.490 -3.607 2.763 1.00 43.32 C ATOM 877 CD ARG A 53 -10.083 -5.050 3.112 1.00 12.20 C ATOM 878 NE ARG A 53 -10.816 -5.547 4.286 1.00 45.35 N ATOM 879 CZ ARG A 53 -10.648 -6.745 4.864 1.00 53.23 C ATOM 880 NH1 ARG A 53 -9.770 -7.618 4.392 1.00 2.33 N ATOM 881 NH2 ARG A 53 -11.368 -7.059 5.930 1.00 63.01 N ATOM 0 H ARG A 53 -8.149 -3.849 5.206 1.00 45.51 H new ATOM 0 HA ARG A 53 -8.444 -1.626 3.243 1.00 30.31 H new ATOM 0 HB2 ARG A 53 -10.621 -3.037 4.843 1.00 51.21 H new ATOM 0 HB3 ARG A 53 -10.860 -1.709 3.725 1.00 51.21 H new ATOM 0 HG2 ARG A 53 -11.545 -3.593 2.490 1.00 43.32 H new ATOM 0 HG3 ARG A 53 -9.929 -3.283 1.886 1.00 43.32 H new ATOM 0 HD2 ARG A 53 -10.276 -5.700 2.259 1.00 12.20 H new ATOM 0 HD3 ARG A 53 -9.011 -5.090 3.307 1.00 12.20 H new ATOM 0 HE ARG A 53 -11.513 -4.926 4.696 1.00 45.35 H new ATOM 0 HH11 ARG A 53 -9.207 -7.384 3.574 1.00 2.33 H new ATOM 0 HH12 ARG A 53 -9.657 -8.524 4.846 1.00 2.33 H new ATOM 0 HH21 ARG A 53 -12.043 -6.392 6.304 1.00 63.01 H new ATOM 0 HH22 ARG A 53 -11.248 -7.968 6.377 1.00 63.01 H new ATOM 895 N VAL A 54 -8.287 0.085 5.131 1.00 10.02 N ATOM 896 CA VAL A 54 -8.226 1.136 6.175 1.00 5.32 C ATOM 897 C VAL A 54 -9.070 2.356 5.747 1.00 73.21 C ATOM 898 O VAL A 54 -9.080 2.732 4.574 1.00 21.44 O ATOM 899 CB VAL A 54 -6.740 1.596 6.477 1.00 53.03 C ATOM 900 CG1 VAL A 54 -5.937 0.494 7.204 1.00 12.15 C ATOM 901 CG2 VAL A 54 -6.001 2.050 5.195 1.00 2.42 C ATOM 0 H VAL A 54 -7.976 0.406 4.214 1.00 10.02 H new ATOM 0 HA VAL A 54 -8.631 0.706 7.091 1.00 5.32 H new ATOM 0 HB VAL A 54 -6.812 2.457 7.142 1.00 53.03 H new ATOM 0 HG11 VAL A 54 -4.923 0.847 7.393 1.00 12.15 H new ATOM 0 HG12 VAL A 54 -6.421 0.256 8.151 1.00 12.15 H new ATOM 0 HG13 VAL A 54 -5.899 -0.400 6.581 1.00 12.15 H new ATOM 0 HG21 VAL A 54 -4.986 2.357 5.449 1.00 2.42 H new ATOM 0 HG22 VAL A 54 -5.963 1.224 4.485 1.00 2.42 H new ATOM 0 HG23 VAL A 54 -6.532 2.890 4.747 1.00 2.42 H new ATOM 911 N ARG A 55 -9.796 2.937 6.714 1.00 35.21 N ATOM 912 CA ARG A 55 -10.574 4.183 6.536 1.00 12.11 C ATOM 913 C ARG A 55 -10.177 5.173 7.638 1.00 30.41 C ATOM 914 O ARG A 55 -10.098 4.780 8.810 1.00 22.30 O ATOM 915 CB ARG A 55 -12.104 3.898 6.613 1.00 14.21 C ATOM 916 CG ARG A 55 -12.660 3.100 5.423 1.00 11.50 C ATOM 917 CD ARG A 55 -14.174 2.819 5.497 1.00 72.51 C ATOM 918 NE ARG A 55 -14.683 2.269 4.221 1.00 22.55 N ATOM 919 CZ ARG A 55 -15.541 1.245 4.087 1.00 13.11 C ATOM 920 NH1 ARG A 55 -16.019 0.611 5.153 1.00 43.11 N ATOM 921 NH2 ARG A 55 -15.911 0.863 2.871 1.00 32.45 N ATOM 0 H ARG A 55 -9.863 2.553 7.657 1.00 35.21 H new ATOM 0 HA ARG A 55 -10.356 4.603 5.554 1.00 12.11 H new ATOM 0 HB2 ARG A 55 -12.314 3.351 7.532 1.00 14.21 H new ATOM 0 HB3 ARG A 55 -12.636 4.847 6.679 1.00 14.21 H new ATOM 0 HG2 ARG A 55 -12.449 3.647 4.504 1.00 11.50 H new ATOM 0 HG3 ARG A 55 -12.129 2.150 5.358 1.00 11.50 H new ATOM 0 HD2 ARG A 55 -14.376 2.116 6.305 1.00 72.51 H new ATOM 0 HD3 ARG A 55 -14.706 3.740 5.736 1.00 72.51 H new ATOM 0 HE ARG A 55 -14.351 2.709 3.363 1.00 22.55 H new ATOM 0 HH11 ARG A 55 -15.735 0.901 6.089 1.00 43.11 H new ATOM 0 HH12 ARG A 55 -16.670 -0.165 5.035 1.00 43.11 H new ATOM 0 HH21 ARG A 55 -15.544 1.346 2.051 1.00 32.45 H new ATOM 0 HH22 ARG A 55 -16.562 0.086 2.757 1.00 32.45 H new ATOM 935 N ASN A 56 -9.942 6.443 7.243 1.00 1.22 N ATOM 936 CA ASN A 56 -9.602 7.557 8.160 1.00 51.22 C ATOM 937 C ASN A 56 -8.379 7.207 9.036 1.00 74.22 C ATOM 938 O ASN A 56 -8.493 7.004 10.249 1.00 73.20 O ATOM 939 CB ASN A 56 -10.827 7.982 9.038 1.00 4.13 C ATOM 940 CG ASN A 56 -11.983 8.650 8.277 1.00 64.11 C ATOM 941 OD1 ASN A 56 -12.660 9.538 8.806 1.00 1.43 O ATOM 942 ND2 ASN A 56 -12.250 8.229 7.052 1.00 64.12 N ATOM 0 H ASN A 56 -9.983 6.729 6.265 1.00 1.22 H new ATOM 0 HA ASN A 56 -9.335 8.414 7.542 1.00 51.22 H new ATOM 0 HB2 ASN A 56 -11.212 7.098 9.547 1.00 4.13 H new ATOM 0 HB3 ASN A 56 -10.479 8.668 9.810 1.00 4.13 H new ATOM 0 HD21 ASN A 56 -13.025 8.638 6.530 1.00 64.12 H new ATOM 0 HD22 ASN A 56 -11.681 7.495 6.630 1.00 64.12 H new ATOM 949 N ILE A 57 -7.216 7.093 8.384 1.00 62.20 N ATOM 950 CA ILE A 57 -5.937 6.765 9.051 1.00 11.41 C ATOM 951 C ILE A 57 -5.026 8.000 9.107 1.00 44.53 C ATOM 952 O ILE A 57 -5.199 8.935 8.326 1.00 74.53 O ATOM 953 CB ILE A 57 -5.219 5.523 8.359 1.00 71.24 C ATOM 954 CG1 ILE A 57 -5.363 5.516 6.788 1.00 62.03 C ATOM 955 CG2 ILE A 57 -5.750 4.199 8.957 1.00 2.22 C ATOM 956 CD1 ILE A 57 -4.569 6.579 6.048 1.00 13.35 C ATOM 0 H ILE A 57 -7.128 7.225 7.376 1.00 62.20 H new ATOM 0 HA ILE A 57 -6.154 6.467 10.077 1.00 11.41 H new ATOM 0 HB ILE A 57 -4.154 5.620 8.569 1.00 71.24 H new ATOM 0 HG12 ILE A 57 -5.057 4.537 6.418 1.00 62.03 H new ATOM 0 HG13 ILE A 57 -6.417 5.636 6.538 1.00 62.03 H new ATOM 0 HG21 ILE A 57 -5.252 3.357 8.476 1.00 2.22 H new ATOM 0 HG22 ILE A 57 -5.548 4.177 10.028 1.00 2.22 H new ATOM 0 HG23 ILE A 57 -6.825 4.129 8.789 1.00 2.22 H new ATOM 0 HD11 ILE A 57 -4.742 6.482 4.976 1.00 13.35 H new ATOM 0 HD12 ILE A 57 -4.888 7.567 6.379 1.00 13.35 H new ATOM 0 HD13 ILE A 57 -3.507 6.451 6.257 1.00 13.35 H new ATOM 968 N SER A 58 -4.073 7.990 10.053 1.00 75.22 N ATOM 969 CA SER A 58 -3.137 9.107 10.277 1.00 64.44 C ATOM 970 C SER A 58 -1.730 8.758 9.724 1.00 54.13 C ATOM 971 O SER A 58 -1.547 7.691 9.126 1.00 70.12 O ATOM 972 CB SER A 58 -3.116 9.429 11.779 1.00 22.21 C ATOM 973 OG SER A 58 -4.424 9.649 12.276 1.00 13.42 O ATOM 0 H SER A 58 -3.928 7.204 10.687 1.00 75.22 H new ATOM 0 HA SER A 58 -3.465 9.995 9.738 1.00 64.44 H new ATOM 0 HB2 SER A 58 -2.651 8.607 12.323 1.00 22.21 H new ATOM 0 HB3 SER A 58 -2.504 10.314 11.955 1.00 22.21 H new ATOM 0 HG SER A 58 -4.805 8.799 12.582 1.00 13.42 H new ATOM 979 N LYS A 59 -0.741 9.660 9.944 1.00 64.10 N ATOM 980 CA LYS A 59 0.575 9.623 9.247 1.00 14.24 C ATOM 981 C LYS A 59 1.447 8.393 9.607 1.00 62.25 C ATOM 982 O LYS A 59 2.196 7.901 8.762 1.00 24.21 O ATOM 983 CB LYS A 59 1.346 10.979 9.447 1.00 14.44 C ATOM 984 CG LYS A 59 1.503 11.490 10.908 1.00 15.53 C ATOM 985 CD LYS A 59 2.635 10.789 11.702 1.00 44.12 C ATOM 986 CE LYS A 59 2.762 11.294 13.144 1.00 40.33 C ATOM 987 NZ LYS A 59 3.785 10.536 13.904 1.00 54.31 N ATOM 0 H LYS A 59 -0.830 10.431 10.606 1.00 64.10 H new ATOM 0 HA LYS A 59 0.358 9.503 8.186 1.00 14.24 H new ATOM 0 HB2 LYS A 59 2.342 10.870 9.017 1.00 14.44 H new ATOM 0 HB3 LYS A 59 0.833 11.749 8.871 1.00 14.44 H new ATOM 0 HG2 LYS A 59 1.697 12.562 10.888 1.00 15.53 H new ATOM 0 HG3 LYS A 59 0.560 11.346 11.436 1.00 15.53 H new ATOM 0 HD2 LYS A 59 2.450 9.715 11.715 1.00 44.12 H new ATOM 0 HD3 LYS A 59 3.582 10.943 11.185 1.00 44.12 H new ATOM 0 HE2 LYS A 59 3.024 12.352 13.137 1.00 40.33 H new ATOM 0 HE3 LYS A 59 1.798 11.208 13.646 1.00 40.33 H new ATOM 0 HZ1 LYS A 59 3.927 10.980 14.834 1.00 54.31 H new ATOM 0 HZ2 LYS A 59 3.465 9.555 14.034 1.00 54.31 H new ATOM 0 HZ3 LYS A 59 4.682 10.540 13.378 1.00 54.31 H new ATOM 1001 N GLU A 60 1.358 7.908 10.852 1.00 33.32 N ATOM 1002 CA GLU A 60 2.115 6.710 11.294 1.00 54.13 C ATOM 1003 C GLU A 60 1.329 5.425 10.983 1.00 43.41 C ATOM 1004 O GLU A 60 1.921 4.358 10.785 1.00 22.03 O ATOM 1005 CB GLU A 60 2.466 6.770 12.812 1.00 63.10 C ATOM 1006 CG GLU A 60 1.275 6.665 13.799 1.00 72.12 C ATOM 1007 CD GLU A 60 0.384 7.915 13.838 1.00 24.35 C ATOM 1008 OE1 GLU A 60 -0.593 7.984 13.068 1.00 5.14 O ATOM 1009 OE2 GLU A 60 0.679 8.843 14.614 1.00 61.12 O ATOM 0 H GLU A 60 0.772 8.321 11.578 1.00 33.32 H new ATOM 0 HA GLU A 60 3.052 6.698 10.737 1.00 54.13 H new ATOM 0 HB2 GLU A 60 3.165 5.964 13.033 1.00 63.10 H new ATOM 0 HB3 GLU A 60 2.988 7.707 13.005 1.00 63.10 H new ATOM 0 HG2 GLU A 60 0.664 5.805 13.525 1.00 72.12 H new ATOM 0 HG3 GLU A 60 1.662 6.476 14.800 1.00 72.12 H new ATOM 1016 N GLU A 61 -0.012 5.544 10.984 1.00 32.23 N ATOM 1017 CA GLU A 61 -0.923 4.422 10.688 1.00 21.30 C ATOM 1018 C GLU A 61 -0.791 3.973 9.223 1.00 22.42 C ATOM 1019 O GLU A 61 -0.720 2.776 8.944 1.00 32.31 O ATOM 1020 CB GLU A 61 -2.385 4.802 11.028 1.00 44.21 C ATOM 1021 CG GLU A 61 -2.617 5.120 12.517 1.00 1.01 C ATOM 1022 CD GLU A 61 -4.092 5.403 12.842 1.00 32.30 C ATOM 1023 OE1 GLU A 61 -4.826 4.463 13.234 1.00 23.24 O ATOM 1024 OE2 GLU A 61 -4.529 6.562 12.691 1.00 2.43 O ATOM 0 H GLU A 61 -0.494 6.419 11.190 1.00 32.23 H new ATOM 0 HA GLU A 61 -0.638 3.578 11.317 1.00 21.30 H new ATOM 0 HB2 GLU A 61 -2.673 5.668 10.432 1.00 44.21 H new ATOM 0 HB3 GLU A 61 -3.041 3.982 10.735 1.00 44.21 H new ATOM 0 HG2 GLU A 61 -2.271 4.281 13.121 1.00 1.01 H new ATOM 0 HG3 GLU A 61 -2.015 5.985 12.797 1.00 1.01 H new ATOM 1031 N LEU A 62 -0.710 4.954 8.297 1.00 42.14 N ATOM 1032 CA LEU A 62 -0.572 4.680 6.853 1.00 3.33 C ATOM 1033 C LEU A 62 0.780 4.019 6.547 1.00 74.33 C ATOM 1034 O LEU A 62 0.910 3.254 5.585 1.00 43.00 O ATOM 1035 CB LEU A 62 -0.782 5.969 6.016 1.00 14.43 C ATOM 1036 CG LEU A 62 0.211 7.178 6.236 1.00 13.32 C ATOM 1037 CD1 LEU A 62 1.567 7.021 5.491 1.00 3.14 C ATOM 1038 CD2 LEU A 62 -0.456 8.500 5.852 1.00 41.41 C ATOM 0 H LEU A 62 -0.738 5.947 8.528 1.00 42.14 H new ATOM 0 HA LEU A 62 -1.354 3.977 6.566 1.00 3.33 H new ATOM 0 HB2 LEU A 62 -0.739 5.692 4.963 1.00 14.43 H new ATOM 0 HB3 LEU A 62 -1.792 6.330 6.210 1.00 14.43 H new ATOM 0 HG LEU A 62 0.447 7.180 7.300 1.00 13.32 H new ATOM 0 HD11 LEU A 62 2.194 7.890 5.691 1.00 3.14 H new ATOM 0 HD12 LEU A 62 2.072 6.121 5.841 1.00 3.14 H new ATOM 0 HD13 LEU A 62 1.386 6.943 4.419 1.00 3.14 H new ATOM 0 HD21 LEU A 62 0.244 9.320 6.011 1.00 41.41 H new ATOM 0 HD22 LEU A 62 -0.747 8.469 4.802 1.00 41.41 H new ATOM 0 HD23 LEU A 62 -1.341 8.654 6.469 1.00 41.41 H new ATOM 1050 N LYS A 63 1.783 4.345 7.390 1.00 41.13 N ATOM 1051 CA LYS A 63 3.121 3.757 7.316 1.00 64.43 C ATOM 1052 C LYS A 63 3.062 2.237 7.493 1.00 33.25 C ATOM 1053 O LYS A 63 3.822 1.522 6.858 1.00 54.10 O ATOM 1054 CB LYS A 63 4.061 4.391 8.377 1.00 13.20 C ATOM 1055 CG LYS A 63 4.538 5.831 8.061 1.00 35.31 C ATOM 1056 CD LYS A 63 5.561 5.891 6.898 1.00 64.42 C ATOM 1057 CE LYS A 63 6.823 5.034 7.163 1.00 34.41 C ATOM 1058 NZ LYS A 63 7.463 5.359 8.470 1.00 25.30 N ATOM 0 H LYS A 63 1.678 5.027 8.141 1.00 41.13 H new ATOM 0 HA LYS A 63 3.526 3.970 6.327 1.00 64.43 H new ATOM 0 HB2 LYS A 63 3.545 4.399 9.337 1.00 13.20 H new ATOM 0 HB3 LYS A 63 4.937 3.752 8.491 1.00 13.20 H new ATOM 0 HG2 LYS A 63 3.674 6.446 7.809 1.00 35.31 H new ATOM 0 HG3 LYS A 63 4.988 6.263 8.955 1.00 35.31 H new ATOM 0 HD2 LYS A 63 5.082 5.549 5.981 1.00 64.42 H new ATOM 0 HD3 LYS A 63 5.859 6.927 6.735 1.00 64.42 H new ATOM 0 HE2 LYS A 63 6.553 3.978 7.146 1.00 34.41 H new ATOM 0 HE3 LYS A 63 7.542 5.192 6.359 1.00 34.41 H new ATOM 0 HZ1 LYS A 63 8.349 4.823 8.566 1.00 25.30 H new ATOM 0 HZ2 LYS A 63 7.669 6.378 8.512 1.00 25.30 H new ATOM 0 HZ3 LYS A 63 6.818 5.104 9.245 1.00 25.30 H new ATOM 1072 N LYS A 64 2.108 1.755 8.318 1.00 24.14 N ATOM 1073 CA LYS A 64 1.961 0.316 8.599 1.00 64.45 C ATOM 1074 C LYS A 64 1.532 -0.442 7.333 1.00 73.11 C ATOM 1075 O LYS A 64 1.829 -1.625 7.196 1.00 54.15 O ATOM 1076 CB LYS A 64 0.949 0.066 9.748 1.00 11.32 C ATOM 1077 CG LYS A 64 1.247 0.853 11.049 1.00 24.11 C ATOM 1078 CD LYS A 64 2.682 0.638 11.603 1.00 13.32 C ATOM 1079 CE LYS A 64 2.971 -0.820 12.026 1.00 33.55 C ATOM 1080 NZ LYS A 64 2.073 -1.288 13.113 1.00 43.04 N ATOM 0 H LYS A 64 1.429 2.344 8.800 1.00 24.14 H new ATOM 0 HA LYS A 64 2.933 -0.060 8.919 1.00 64.45 H new ATOM 0 HB2 LYS A 64 -0.050 0.330 9.399 1.00 11.32 H new ATOM 0 HB3 LYS A 64 0.935 -0.999 9.978 1.00 11.32 H new ATOM 0 HG2 LYS A 64 1.097 1.916 10.861 1.00 24.11 H new ATOM 0 HG3 LYS A 64 0.526 0.559 11.812 1.00 24.11 H new ATOM 0 HD2 LYS A 64 3.404 0.937 10.843 1.00 13.32 H new ATOM 0 HD3 LYS A 64 2.833 1.293 12.461 1.00 13.32 H new ATOM 0 HE2 LYS A 64 2.860 -1.474 11.161 1.00 33.55 H new ATOM 0 HE3 LYS A 64 4.007 -0.900 12.356 1.00 33.55 H new ATOM 0 HZ1 LYS A 64 2.352 -2.246 13.406 1.00 43.04 H new ATOM 0 HZ2 LYS A 64 2.146 -0.643 13.925 1.00 43.04 H new ATOM 0 HZ3 LYS A 64 1.091 -1.303 12.770 1.00 43.04 H new ATOM 1094 N LEU A 65 0.861 0.278 6.400 1.00 51.32 N ATOM 1095 CA LEU A 65 0.376 -0.299 5.128 1.00 1.02 C ATOM 1096 C LEU A 65 1.560 -0.663 4.216 1.00 53.32 C ATOM 1097 O LEU A 65 1.649 -1.797 3.744 1.00 4.40 O ATOM 1098 CB LEU A 65 -0.610 0.682 4.411 1.00 61.14 C ATOM 1099 CG LEU A 65 -2.078 0.741 4.963 1.00 35.33 C ATOM 1100 CD1 LEU A 65 -2.762 -0.642 4.905 1.00 62.11 C ATOM 1101 CD2 LEU A 65 -2.138 1.339 6.383 1.00 62.10 C ATOM 0 H LEU A 65 0.643 1.268 6.510 1.00 51.32 H new ATOM 0 HA LEU A 65 -0.172 -1.214 5.352 1.00 1.02 H new ATOM 0 HB2 LEU A 65 -0.188 1.685 4.462 1.00 61.14 H new ATOM 0 HB3 LEU A 65 -0.654 0.408 3.357 1.00 61.14 H new ATOM 0 HG LEU A 65 -2.636 1.412 4.309 1.00 35.33 H new ATOM 0 HD11 LEU A 65 -3.777 -0.563 5.295 1.00 62.11 H new ATOM 0 HD12 LEU A 65 -2.796 -0.988 3.872 1.00 62.11 H new ATOM 0 HD13 LEU A 65 -2.196 -1.353 5.507 1.00 62.11 H new ATOM 0 HD21 LEU A 65 -3.173 1.361 6.725 1.00 62.10 H new ATOM 0 HD22 LEU A 65 -1.544 0.726 7.061 1.00 62.10 H new ATOM 0 HD23 LEU A 65 -1.740 2.353 6.368 1.00 62.10 H new ATOM 1113 N LEU A 66 2.485 0.302 3.997 1.00 73.14 N ATOM 1114 CA LEU A 66 3.696 0.067 3.175 1.00 25.52 C ATOM 1115 C LEU A 66 4.667 -0.884 3.896 1.00 65.41 C ATOM 1116 O LEU A 66 5.449 -1.586 3.255 1.00 61.13 O ATOM 1117 CB LEU A 66 4.386 1.416 2.799 1.00 10.54 C ATOM 1118 CG LEU A 66 4.951 2.303 3.983 1.00 51.05 C ATOM 1119 CD1 LEU A 66 6.447 2.017 4.289 1.00 41.13 C ATOM 1120 CD2 LEU A 66 4.711 3.806 3.741 1.00 50.03 C ATOM 0 H LEU A 66 2.416 1.246 4.376 1.00 73.14 H new ATOM 0 HA LEU A 66 3.392 -0.414 2.245 1.00 25.52 H new ATOM 0 HB2 LEU A 66 5.211 1.195 2.121 1.00 10.54 H new ATOM 0 HB3 LEU A 66 3.668 2.017 2.241 1.00 10.54 H new ATOM 0 HG LEU A 66 4.387 2.014 4.870 1.00 51.05 H new ATOM 0 HD11 LEU A 66 6.779 2.654 5.109 1.00 41.13 H new ATOM 0 HD12 LEU A 66 6.567 0.971 4.571 1.00 41.13 H new ATOM 0 HD13 LEU A 66 7.046 2.225 3.402 1.00 41.13 H new ATOM 0 HD21 LEU A 66 5.114 4.378 4.577 1.00 50.03 H new ATOM 0 HD22 LEU A 66 5.208 4.110 2.820 1.00 50.03 H new ATOM 0 HD23 LEU A 66 3.641 3.994 3.655 1.00 50.03 H new ATOM 1132 N GLU A 67 4.581 -0.899 5.248 1.00 3.43 N ATOM 1133 CA GLU A 67 5.383 -1.797 6.103 1.00 54.10 C ATOM 1134 C GLU A 67 4.853 -3.241 6.062 1.00 4.33 C ATOM 1135 O GLU A 67 5.591 -4.171 6.364 1.00 64.31 O ATOM 1136 CB GLU A 67 5.460 -1.266 7.561 1.00 2.23 C ATOM 1137 CG GLU A 67 6.357 -0.019 7.724 1.00 43.15 C ATOM 1138 CD GLU A 67 6.403 0.500 9.168 1.00 41.51 C ATOM 1139 OE1 GLU A 67 6.996 -0.182 10.031 1.00 4.35 O ATOM 1140 OE2 GLU A 67 5.855 1.592 9.453 1.00 71.22 O ATOM 0 H GLU A 67 3.954 -0.289 5.772 1.00 3.43 H new ATOM 0 HA GLU A 67 6.396 -1.811 5.701 1.00 54.10 H new ATOM 0 HB2 GLU A 67 4.454 -1.025 7.904 1.00 2.23 H new ATOM 0 HB3 GLU A 67 5.836 -2.059 8.207 1.00 2.23 H new ATOM 0 HG2 GLU A 67 7.369 -0.260 7.398 1.00 43.15 H new ATOM 0 HG3 GLU A 67 5.992 0.773 7.070 1.00 43.15 H new ATOM 1147 N ARG A 68 3.570 -3.420 5.704 1.00 64.00 N ATOM 1148 CA ARG A 68 2.987 -4.756 5.428 1.00 22.11 C ATOM 1149 C ARG A 68 3.483 -5.268 4.064 1.00 20.40 C ATOM 1150 O ARG A 68 3.795 -6.456 3.908 1.00 21.34 O ATOM 1151 CB ARG A 68 1.437 -4.677 5.410 1.00 54.51 C ATOM 1152 CG ARG A 68 0.741 -4.466 6.784 1.00 4.32 C ATOM 1153 CD ARG A 68 0.535 -5.766 7.576 1.00 21.13 C ATOM 1154 NE ARG A 68 -0.356 -5.573 8.747 1.00 70.43 N ATOM 1155 CZ ARG A 68 -1.526 -6.211 8.945 1.00 60.43 C ATOM 1156 NH1 ARG A 68 -1.981 -7.091 8.069 1.00 45.42 N ATOM 1157 NH2 ARG A 68 -2.239 -5.971 10.036 1.00 73.53 N ATOM 0 H ARG A 68 2.907 -2.652 5.597 1.00 64.00 H new ATOM 0 HA ARG A 68 3.301 -5.441 6.216 1.00 22.11 H new ATOM 0 HB2 ARG A 68 1.144 -3.861 4.749 1.00 54.51 H new ATOM 0 HB3 ARG A 68 1.053 -5.597 4.970 1.00 54.51 H new ATOM 0 HG2 ARG A 68 1.338 -3.777 7.382 1.00 4.32 H new ATOM 0 HG3 ARG A 68 -0.227 -3.992 6.622 1.00 4.32 H new ATOM 0 HD2 ARG A 68 0.111 -6.526 6.920 1.00 21.13 H new ATOM 0 HD3 ARG A 68 1.501 -6.140 7.914 1.00 21.13 H new ATOM 0 HE ARG A 68 -0.059 -4.905 9.458 1.00 70.43 H new ATOM 0 HH11 ARG A 68 -1.444 -7.296 7.227 1.00 45.42 H new ATOM 0 HH12 ARG A 68 -2.869 -7.564 8.236 1.00 45.42 H new ATOM 0 HH21 ARG A 68 -1.902 -5.302 10.728 1.00 73.53 H new ATOM 0 HH22 ARG A 68 -3.124 -6.455 10.183 1.00 73.53 H new ATOM 1171 N ILE A 69 3.529 -4.342 3.081 1.00 71.34 N ATOM 1172 CA ILE A 69 3.966 -4.624 1.698 1.00 41.24 C ATOM 1173 C ILE A 69 5.447 -5.039 1.670 1.00 74.55 C ATOM 1174 O ILE A 69 5.816 -6.005 0.993 1.00 73.15 O ATOM 1175 CB ILE A 69 3.747 -3.368 0.766 1.00 43.32 C ATOM 1176 CG1 ILE A 69 2.250 -2.921 0.782 1.00 55.32 C ATOM 1177 CG2 ILE A 69 4.225 -3.647 -0.687 1.00 70.15 C ATOM 1178 CD1 ILE A 69 1.970 -1.605 0.077 1.00 40.31 C ATOM 0 H ILE A 69 3.261 -3.369 3.228 1.00 71.34 H new ATOM 0 HA ILE A 69 3.359 -5.447 1.321 1.00 41.24 H new ATOM 0 HB ILE A 69 4.353 -2.553 1.161 1.00 43.32 H new ATOM 0 HG12 ILE A 69 1.648 -3.701 0.317 1.00 55.32 H new ATOM 0 HG13 ILE A 69 1.921 -2.839 1.818 1.00 55.32 H new ATOM 0 HG21 ILE A 69 4.059 -2.762 -1.301 1.00 70.15 H new ATOM 0 HG22 ILE A 69 5.287 -3.890 -0.680 1.00 70.15 H new ATOM 0 HG23 ILE A 69 3.664 -4.485 -1.100 1.00 70.15 H new ATOM 0 HD11 ILE A 69 0.906 -1.378 0.140 1.00 40.31 H new ATOM 0 HD12 ILE A 69 2.540 -0.808 0.554 1.00 40.31 H new ATOM 0 HD13 ILE A 69 2.263 -1.684 -0.970 1.00 40.31 H new ATOM 1190 N ARG A 70 6.279 -4.313 2.466 1.00 11.12 N ATOM 1191 CA ARG A 70 7.741 -4.524 2.504 1.00 23.41 C ATOM 1192 C ARG A 70 8.081 -5.949 2.954 1.00 12.42 C ATOM 1193 O ARG A 70 9.031 -6.553 2.460 1.00 10.30 O ATOM 1194 CB ARG A 70 8.451 -3.465 3.398 1.00 61.44 C ATOM 1195 CG ARG A 70 8.309 -3.594 4.942 1.00 22.03 C ATOM 1196 CD ARG A 70 9.429 -4.404 5.636 1.00 31.20 C ATOM 1197 NE ARG A 70 9.137 -4.639 7.056 1.00 61.24 N ATOM 1198 CZ ARG A 70 9.819 -5.463 7.862 1.00 13.01 C ATOM 1199 NH1 ARG A 70 10.862 -6.163 7.422 1.00 40.43 N ATOM 1200 NH2 ARG A 70 9.452 -5.580 9.123 1.00 24.22 N ATOM 0 H ARG A 70 5.953 -3.575 3.090 1.00 11.12 H new ATOM 0 HA ARG A 70 8.117 -4.395 1.489 1.00 23.41 H new ATOM 0 HB2 ARG A 70 9.514 -3.485 3.158 1.00 61.44 H new ATOM 0 HB3 ARG A 70 8.078 -2.482 3.110 1.00 61.44 H new ATOM 0 HG2 ARG A 70 8.284 -2.594 5.374 1.00 22.03 H new ATOM 0 HG3 ARG A 70 7.351 -4.062 5.166 1.00 22.03 H new ATOM 0 HD2 ARG A 70 9.553 -5.360 5.128 1.00 31.20 H new ATOM 0 HD3 ARG A 70 10.374 -3.869 5.544 1.00 31.20 H new ATOM 0 HE ARG A 70 8.350 -4.133 7.462 1.00 61.24 H new ATOM 0 HH11 ARG A 70 11.159 -6.079 6.450 1.00 40.43 H new ATOM 0 HH12 ARG A 70 11.364 -6.784 8.057 1.00 40.43 H new ATOM 0 HH21 ARG A 70 8.657 -5.046 9.474 1.00 24.22 H new ATOM 0 HH22 ARG A 70 9.963 -6.204 9.747 1.00 24.22 H new ATOM 1214 N GLU A 71 7.253 -6.465 3.891 1.00 71.43 N ATOM 1215 CA GLU A 71 7.366 -7.833 4.393 1.00 65.34 C ATOM 1216 C GLU A 71 7.139 -8.821 3.244 1.00 63.15 C ATOM 1217 O GLU A 71 7.917 -9.743 3.072 1.00 5.33 O ATOM 1218 CB GLU A 71 6.351 -8.072 5.546 1.00 43.50 C ATOM 1219 CG GLU A 71 6.572 -7.158 6.765 1.00 61.22 C ATOM 1220 CD GLU A 71 5.530 -7.351 7.873 1.00 72.34 C ATOM 1221 OE1 GLU A 71 5.719 -8.219 8.749 1.00 65.14 O ATOM 1222 OE2 GLU A 71 4.504 -6.633 7.875 1.00 53.20 O ATOM 0 H GLU A 71 6.491 -5.935 4.314 1.00 71.43 H new ATOM 0 HA GLU A 71 8.367 -7.990 4.794 1.00 65.34 H new ATOM 0 HB2 GLU A 71 5.341 -7.918 5.166 1.00 43.50 H new ATOM 0 HB3 GLU A 71 6.417 -9.112 5.866 1.00 43.50 H new ATOM 0 HG2 GLU A 71 7.565 -7.346 7.174 1.00 61.22 H new ATOM 0 HG3 GLU A 71 6.554 -6.119 6.437 1.00 61.22 H new ATOM 1229 N LYS A 72 6.116 -8.541 2.398 1.00 32.31 N ATOM 1230 CA LYS A 72 5.732 -9.454 1.299 1.00 73.33 C ATOM 1231 C LYS A 72 6.866 -9.554 0.271 1.00 50.44 C ATOM 1232 O LYS A 72 7.308 -10.655 -0.073 1.00 41.52 O ATOM 1233 CB LYS A 72 4.414 -9.000 0.598 1.00 40.53 C ATOM 1234 CG LYS A 72 3.211 -8.790 1.545 1.00 3.32 C ATOM 1235 CD LYS A 72 3.034 -9.928 2.586 1.00 10.13 C ATOM 1236 CE LYS A 72 1.766 -9.750 3.431 1.00 52.42 C ATOM 1237 NZ LYS A 72 1.621 -8.361 3.952 1.00 34.43 N ATOM 0 H LYS A 72 5.548 -7.696 2.457 1.00 32.31 H new ATOM 0 HA LYS A 72 5.552 -10.436 1.738 1.00 73.33 H new ATOM 0 HB2 LYS A 72 4.605 -8.068 0.066 1.00 40.53 H new ATOM 0 HB3 LYS A 72 4.143 -9.745 -0.150 1.00 40.53 H new ATOM 0 HG2 LYS A 72 3.334 -7.843 2.071 1.00 3.32 H new ATOM 0 HG3 LYS A 72 2.301 -8.708 0.950 1.00 3.32 H new ATOM 0 HD2 LYS A 72 2.992 -10.887 2.070 1.00 10.13 H new ATOM 0 HD3 LYS A 72 3.904 -9.957 3.242 1.00 10.13 H new ATOM 0 HE2 LYS A 72 0.893 -10.002 2.829 1.00 52.42 H new ATOM 0 HE3 LYS A 72 1.789 -10.448 4.268 1.00 52.42 H new ATOM 0 HZ1 LYS A 72 1.174 -8.387 4.890 1.00 34.43 H new ATOM 0 HZ2 LYS A 72 2.559 -7.919 4.028 1.00 34.43 H new ATOM 0 HZ3 LYS A 72 1.029 -7.806 3.302 1.00 34.43 H new ATOM 1251 N ILE A 73 7.361 -8.381 -0.167 1.00 71.02 N ATOM 1252 CA ILE A 73 8.363 -8.288 -1.242 1.00 4.22 C ATOM 1253 C ILE A 73 9.733 -8.850 -0.798 1.00 62.53 C ATOM 1254 O ILE A 73 10.465 -9.403 -1.621 1.00 4.11 O ATOM 1255 CB ILE A 73 8.512 -6.807 -1.802 1.00 1.44 C ATOM 1256 CG1 ILE A 73 9.121 -5.829 -0.743 1.00 44.32 C ATOM 1257 CG2 ILE A 73 7.146 -6.274 -2.317 1.00 40.13 C ATOM 1258 CD1 ILE A 73 9.344 -4.399 -1.230 1.00 21.34 C ATOM 0 H ILE A 73 7.079 -7.477 0.212 1.00 71.02 H new ATOM 0 HA ILE A 73 7.995 -8.908 -2.059 1.00 4.22 H new ATOM 0 HB ILE A 73 9.211 -6.851 -2.637 1.00 1.44 H new ATOM 0 HG12 ILE A 73 8.461 -5.802 0.124 1.00 44.32 H new ATOM 0 HG13 ILE A 73 10.075 -6.233 -0.405 1.00 44.32 H new ATOM 0 HG21 ILE A 73 7.271 -5.259 -2.696 1.00 40.13 H new ATOM 0 HG22 ILE A 73 6.783 -6.918 -3.118 1.00 40.13 H new ATOM 0 HG23 ILE A 73 6.425 -6.270 -1.499 1.00 40.13 H new ATOM 0 HD11 ILE A 73 9.768 -3.802 -0.423 1.00 21.34 H new ATOM 0 HD12 ILE A 73 10.031 -4.406 -2.076 1.00 21.34 H new ATOM 0 HD13 ILE A 73 8.392 -3.967 -1.539 1.00 21.34 H new ATOM 1270 N GLU A 74 10.066 -8.717 0.517 1.00 74.03 N ATOM 1271 CA GLU A 74 11.377 -9.159 1.050 1.00 2.33 C ATOM 1272 C GLU A 74 11.385 -10.646 1.490 1.00 73.22 C ATOM 1273 O GLU A 74 12.442 -11.287 1.474 1.00 22.02 O ATOM 1274 CB GLU A 74 11.873 -8.227 2.195 1.00 33.31 C ATOM 1275 CG GLU A 74 11.329 -8.494 3.612 1.00 4.34 C ATOM 1276 CD GLU A 74 12.066 -7.638 4.657 1.00 55.45 C ATOM 1277 OE1 GLU A 74 11.829 -6.414 4.695 1.00 1.52 O ATOM 1278 OE2 GLU A 74 12.901 -8.182 5.425 1.00 11.24 O ATOM 0 H GLU A 74 9.447 -8.310 1.218 1.00 74.03 H new ATOM 0 HA GLU A 74 12.081 -9.081 0.222 1.00 2.33 H new ATOM 0 HB2 GLU A 74 12.960 -8.291 2.234 1.00 33.31 H new ATOM 0 HB3 GLU A 74 11.623 -7.201 1.926 1.00 33.31 H new ATOM 0 HG2 GLU A 74 10.262 -8.273 3.643 1.00 4.34 H new ATOM 0 HG3 GLU A 74 11.443 -9.550 3.856 1.00 4.34 H new ATOM 1285 N ARG A 75 10.214 -11.189 1.906 1.00 3.13 N ATOM 1286 CA ARG A 75 10.107 -12.615 2.320 1.00 35.12 C ATOM 1287 C ARG A 75 10.074 -13.525 1.085 1.00 61.22 C ATOM 1288 O ARG A 75 10.721 -14.582 1.067 1.00 74.41 O ATOM 1289 CB ARG A 75 8.848 -12.869 3.192 1.00 72.34 C ATOM 1290 CG ARG A 75 8.865 -12.153 4.563 1.00 3.34 C ATOM 1291 CD ARG A 75 7.519 -12.282 5.310 1.00 54.14 C ATOM 1292 NE ARG A 75 7.301 -13.631 5.873 1.00 64.32 N ATOM 1293 CZ ARG A 75 6.337 -14.496 5.523 1.00 50.44 C ATOM 1294 NH1 ARG A 75 5.453 -14.202 4.571 1.00 34.24 N ATOM 1295 NH2 ARG A 75 6.256 -15.656 6.159 1.00 1.04 N ATOM 0 H ARG A 75 9.338 -10.670 1.964 1.00 3.13 H new ATOM 0 HA ARG A 75 10.985 -12.847 2.922 1.00 35.12 H new ATOM 0 HB2 ARG A 75 7.966 -12.546 2.638 1.00 72.34 H new ATOM 0 HB3 ARG A 75 8.746 -13.942 3.357 1.00 72.34 H new ATOM 0 HG2 ARG A 75 9.661 -12.572 5.179 1.00 3.34 H new ATOM 0 HG3 ARG A 75 9.097 -11.098 4.416 1.00 3.34 H new ATOM 0 HD2 ARG A 75 7.484 -11.548 6.115 1.00 54.14 H new ATOM 0 HD3 ARG A 75 6.705 -12.044 4.625 1.00 54.14 H new ATOM 0 HE ARG A 75 7.948 -13.935 6.600 1.00 64.32 H new ATOM 0 HH11 ARG A 75 5.500 -13.303 4.091 1.00 34.24 H new ATOM 0 HH12 ARG A 75 4.729 -14.876 4.322 1.00 34.24 H new ATOM 0 HH21 ARG A 75 6.920 -15.878 6.901 1.00 1.04 H new ATOM 0 HH22 ARG A 75 5.530 -16.326 5.907 1.00 1.04 H new ATOM 1309 N GLU A 76 9.294 -13.110 0.066 1.00 1.52 N ATOM 1310 CA GLU A 76 9.191 -13.845 -1.203 1.00 22.11 C ATOM 1311 C GLU A 76 10.484 -13.646 -2.016 1.00 11.11 C ATOM 1312 O GLU A 76 11.131 -14.625 -2.423 1.00 62.51 O ATOM 1313 CB GLU A 76 7.959 -13.369 -2.016 1.00 23.40 C ATOM 1314 CG GLU A 76 6.599 -13.508 -1.293 1.00 34.14 C ATOM 1315 CD GLU A 76 6.273 -14.946 -0.864 1.00 11.24 C ATOM 1316 OE1 GLU A 76 6.400 -15.266 0.339 1.00 13.51 O ATOM 1317 OE2 GLU A 76 5.901 -15.765 -1.738 1.00 10.30 O ATOM 0 H GLU A 76 8.725 -12.264 0.102 1.00 1.52 H new ATOM 0 HA GLU A 76 9.060 -14.906 -0.989 1.00 22.11 H new ATOM 0 HB2 GLU A 76 8.104 -12.323 -2.285 1.00 23.40 H new ATOM 0 HB3 GLU A 76 7.917 -13.935 -2.947 1.00 23.40 H new ATOM 0 HG2 GLU A 76 6.599 -12.866 -0.412 1.00 34.14 H new ATOM 0 HG3 GLU A 76 5.809 -13.146 -1.951 1.00 34.14 H new ATOM 1324 N GLY A 77 10.837 -12.356 -2.233 1.00 63.30 N ATOM 1325 CA GLY A 77 12.071 -11.960 -2.918 1.00 73.53 C ATOM 1326 C GLY A 77 12.195 -12.489 -4.346 1.00 31.25 C ATOM 1327 O GLY A 77 13.312 -12.637 -4.857 1.00 42.11 O ATOM 0 H GLY A 77 10.266 -11.566 -1.933 1.00 63.30 H new ATOM 0 HA2 GLY A 77 12.127 -10.872 -2.940 1.00 73.53 H new ATOM 0 HA3 GLY A 77 12.924 -12.312 -2.337 1.00 73.53 H new ATOM 1331 N SER A 78 11.046 -12.759 -4.990 1.00 11.34 N ATOM 1332 CA SER A 78 10.986 -13.340 -6.347 1.00 15.14 C ATOM 1333 C SER A 78 10.684 -12.241 -7.387 1.00 35.32 C ATOM 1334 O SER A 78 10.459 -11.083 -7.023 1.00 2.41 O ATOM 1335 CB SER A 78 9.910 -14.454 -6.377 1.00 31.21 C ATOM 1336 OG SER A 78 9.866 -15.118 -7.635 1.00 1.10 O ATOM 0 H SER A 78 10.128 -12.580 -4.584 1.00 11.34 H new ATOM 0 HA SER A 78 11.951 -13.779 -6.603 1.00 15.14 H new ATOM 0 HB2 SER A 78 10.118 -15.180 -5.591 1.00 31.21 H new ATOM 0 HB3 SER A 78 8.933 -14.021 -6.161 1.00 31.21 H new ATOM 0 HG SER A 78 8.935 -15.318 -7.867 1.00 1.10 H new ATOM 1342 N SER A 79 10.690 -12.620 -8.677 1.00 4.53 N ATOM 1343 CA SER A 79 10.422 -11.703 -9.797 1.00 32.43 C ATOM 1344 C SER A 79 8.927 -11.333 -9.899 1.00 61.02 C ATOM 1345 O SER A 79 8.601 -10.268 -10.395 1.00 22.52 O ATOM 1346 CB SER A 79 10.903 -12.343 -11.118 1.00 72.12 C ATOM 1347 OG SER A 79 12.290 -12.654 -11.067 1.00 51.31 O ATOM 0 H SER A 79 10.882 -13.577 -8.973 1.00 4.53 H new ATOM 0 HA SER A 79 10.972 -10.780 -9.611 1.00 32.43 H new ATOM 0 HB2 SER A 79 10.332 -13.250 -11.314 1.00 72.12 H new ATOM 0 HB3 SER A 79 10.711 -11.661 -11.946 1.00 72.12 H new ATOM 0 HG SER A 79 12.566 -13.059 -11.916 1.00 51.31 H new ATOM 1353 N GLU A 80 8.045 -12.230 -9.417 1.00 65.21 N ATOM 1354 CA GLU A 80 6.570 -12.116 -9.570 1.00 33.13 C ATOM 1355 C GLU A 80 5.936 -11.134 -8.544 1.00 23.32 C ATOM 1356 O GLU A 80 5.028 -11.509 -7.807 1.00 72.31 O ATOM 1357 CB GLU A 80 5.919 -13.537 -9.421 1.00 21.44 C ATOM 1358 CG GLU A 80 6.144 -14.506 -10.601 1.00 3.51 C ATOM 1359 CD GLU A 80 7.604 -14.959 -10.763 1.00 62.31 C ATOM 1360 OE1 GLU A 80 8.086 -15.734 -9.914 1.00 24.51 O ATOM 1361 OE2 GLU A 80 8.275 -14.551 -11.738 1.00 25.31 O ATOM 0 H GLU A 80 8.333 -13.064 -8.905 1.00 65.21 H new ATOM 0 HA GLU A 80 6.374 -11.711 -10.563 1.00 33.13 H new ATOM 0 HB2 GLU A 80 6.309 -14.001 -8.515 1.00 21.44 H new ATOM 0 HB3 GLU A 80 4.846 -13.411 -9.278 1.00 21.44 H new ATOM 0 HG2 GLU A 80 5.514 -15.385 -10.462 1.00 3.51 H new ATOM 0 HG3 GLU A 80 5.819 -14.023 -11.523 1.00 3.51 H new ATOM 1368 N VAL A 81 6.370 -9.861 -8.544 1.00 42.22 N ATOM 1369 CA VAL A 81 5.907 -8.850 -7.555 1.00 5.20 C ATOM 1370 C VAL A 81 4.811 -7.938 -8.158 1.00 64.50 C ATOM 1371 O VAL A 81 4.972 -7.397 -9.246 1.00 32.44 O ATOM 1372 CB VAL A 81 7.114 -7.976 -7.035 1.00 71.04 C ATOM 1373 CG1 VAL A 81 6.648 -6.858 -6.060 1.00 42.12 C ATOM 1374 CG2 VAL A 81 8.186 -8.875 -6.372 1.00 32.20 C ATOM 0 H VAL A 81 7.044 -9.499 -9.218 1.00 42.22 H new ATOM 0 HA VAL A 81 5.478 -9.390 -6.711 1.00 5.20 H new ATOM 0 HB VAL A 81 7.557 -7.481 -7.899 1.00 71.04 H new ATOM 0 HG11 VAL A 81 7.512 -6.282 -5.728 1.00 42.12 H new ATOM 0 HG12 VAL A 81 5.947 -6.198 -6.571 1.00 42.12 H new ATOM 0 HG13 VAL A 81 6.159 -7.309 -5.197 1.00 42.12 H new ATOM 0 HG21 VAL A 81 9.011 -8.257 -6.019 1.00 32.20 H new ATOM 0 HG22 VAL A 81 7.744 -9.407 -5.529 1.00 32.20 H new ATOM 0 HG23 VAL A 81 8.558 -9.595 -7.101 1.00 32.20 H new ATOM 1384 N GLU A 82 3.692 -7.790 -7.438 1.00 30.03 N ATOM 1385 CA GLU A 82 2.607 -6.862 -7.806 1.00 52.35 C ATOM 1386 C GLU A 82 2.078 -6.199 -6.525 1.00 1.23 C ATOM 1387 O GLU A 82 1.765 -6.884 -5.554 1.00 70.11 O ATOM 1388 CB GLU A 82 1.469 -7.611 -8.549 1.00 63.43 C ATOM 1389 CG GLU A 82 0.306 -6.715 -9.044 1.00 71.44 C ATOM 1390 CD GLU A 82 -0.742 -7.502 -9.842 1.00 43.31 C ATOM 1391 OE1 GLU A 82 -1.804 -7.850 -9.283 1.00 35.15 O ATOM 1392 OE2 GLU A 82 -0.508 -7.776 -11.041 1.00 55.31 O ATOM 0 H GLU A 82 3.510 -8.311 -6.580 1.00 30.03 H new ATOM 0 HA GLU A 82 2.990 -6.099 -8.484 1.00 52.35 H new ATOM 0 HB2 GLU A 82 1.897 -8.131 -9.406 1.00 63.43 H new ATOM 0 HB3 GLU A 82 1.062 -8.373 -7.884 1.00 63.43 H new ATOM 0 HG2 GLU A 82 -0.174 -6.242 -8.187 1.00 71.44 H new ATOM 0 HG3 GLU A 82 0.707 -5.915 -9.667 1.00 71.44 H new ATOM 1399 N VAL A 83 2.040 -4.861 -6.512 1.00 33.11 N ATOM 1400 CA VAL A 83 1.429 -4.063 -5.431 1.00 30.15 C ATOM 1401 C VAL A 83 0.237 -3.313 -6.021 1.00 34.13 C ATOM 1402 O VAL A 83 0.280 -2.903 -7.179 1.00 51.23 O ATOM 1403 CB VAL A 83 2.470 -3.056 -4.796 1.00 1.02 C ATOM 1404 CG1 VAL A 83 1.851 -2.243 -3.631 1.00 30.42 C ATOM 1405 CG2 VAL A 83 3.760 -3.797 -4.349 1.00 52.33 C ATOM 0 H VAL A 83 2.436 -4.291 -7.259 1.00 33.11 H new ATOM 0 HA VAL A 83 1.102 -4.722 -4.627 1.00 30.15 H new ATOM 0 HB VAL A 83 2.746 -2.341 -5.571 1.00 1.02 H new ATOM 0 HG11 VAL A 83 2.600 -1.564 -3.223 1.00 30.42 H new ATOM 0 HG12 VAL A 83 1.002 -1.668 -4.000 1.00 30.42 H new ATOM 0 HG13 VAL A 83 1.516 -2.925 -2.849 1.00 30.42 H new ATOM 0 HG21 VAL A 83 4.459 -3.082 -3.916 1.00 52.33 H new ATOM 0 HG22 VAL A 83 3.506 -4.552 -3.605 1.00 52.33 H new ATOM 0 HG23 VAL A 83 4.221 -4.278 -5.212 1.00 52.33 H new ATOM 1415 N ASN A 84 -0.839 -3.164 -5.246 1.00 15.43 N ATOM 1416 CA ASN A 84 -2.086 -2.583 -5.744 1.00 62.23 C ATOM 1417 C ASN A 84 -2.740 -1.742 -4.646 1.00 3.43 C ATOM 1418 O ASN A 84 -3.140 -2.285 -3.616 1.00 44.25 O ATOM 1419 CB ASN A 84 -3.025 -3.730 -6.192 1.00 61.10 C ATOM 1420 CG ASN A 84 -4.070 -3.267 -7.172 1.00 33.22 C ATOM 1421 OD1 ASN A 84 -5.165 -2.870 -6.806 1.00 72.13 O ATOM 1422 ND2 ASN A 84 -3.717 -3.300 -8.430 1.00 52.04 N ATOM 0 H ASN A 84 -0.871 -3.440 -4.265 1.00 15.43 H new ATOM 0 HA ASN A 84 -1.885 -1.932 -6.595 1.00 62.23 H new ATOM 0 HB2 ASN A 84 -2.433 -4.525 -6.645 1.00 61.10 H new ATOM 0 HB3 ASN A 84 -3.515 -4.157 -5.317 1.00 61.10 H new ATOM 0 HD21 ASN A 84 -4.367 -2.986 -9.151 1.00 52.04 H new ATOM 0 HD22 ASN A 84 -2.791 -3.640 -8.691 1.00 52.04 H new ATOM 1429 N VAL A 85 -2.821 -0.422 -4.844 1.00 20.41 N ATOM 1430 CA VAL A 85 -3.431 0.492 -3.864 1.00 62.12 C ATOM 1431 C VAL A 85 -4.735 1.064 -4.441 1.00 53.30 C ATOM 1432 O VAL A 85 -4.702 1.820 -5.402 1.00 23.45 O ATOM 1433 CB VAL A 85 -2.447 1.655 -3.464 1.00 35.03 C ATOM 1434 CG1 VAL A 85 -3.109 2.615 -2.443 1.00 1.02 C ATOM 1435 CG2 VAL A 85 -1.105 1.088 -2.923 1.00 11.01 C ATOM 0 H VAL A 85 -2.469 0.043 -5.681 1.00 20.41 H new ATOM 0 HA VAL A 85 -3.650 -0.072 -2.957 1.00 62.12 H new ATOM 0 HB VAL A 85 -2.223 2.232 -4.361 1.00 35.03 H new ATOM 0 HG11 VAL A 85 -2.409 3.409 -2.183 1.00 1.02 H new ATOM 0 HG12 VAL A 85 -4.006 3.052 -2.883 1.00 1.02 H new ATOM 0 HG13 VAL A 85 -3.379 2.061 -1.544 1.00 1.02 H new ATOM 0 HG21 VAL A 85 -0.444 1.912 -2.654 1.00 11.01 H new ATOM 0 HG22 VAL A 85 -1.298 0.475 -2.042 1.00 11.01 H new ATOM 0 HG23 VAL A 85 -0.631 0.479 -3.692 1.00 11.01 H new ATOM 1445 N HIS A 86 -5.869 0.657 -3.867 1.00 41.14 N ATOM 1446 CA HIS A 86 -7.192 1.210 -4.190 1.00 13.42 C ATOM 1447 C HIS A 86 -7.493 2.319 -3.176 1.00 74.41 C ATOM 1448 O HIS A 86 -7.008 2.257 -2.046 1.00 43.40 O ATOM 1449 CB HIS A 86 -8.301 0.134 -4.067 1.00 70.33 C ATOM 1450 CG HIS A 86 -8.050 -1.164 -4.786 1.00 61.04 C ATOM 1451 ND1 HIS A 86 -8.644 -1.489 -5.983 1.00 53.22 N ATOM 1452 CD2 HIS A 86 -7.326 -2.256 -4.432 1.00 22.12 C ATOM 1453 CE1 HIS A 86 -8.296 -2.710 -6.323 1.00 24.24 C ATOM 1454 NE2 HIS A 86 -7.501 -3.195 -5.404 1.00 53.15 N ATOM 0 H HIS A 86 -5.898 -0.074 -3.156 1.00 41.14 H new ATOM 0 HA HIS A 86 -7.179 1.580 -5.215 1.00 13.42 H new ATOM 0 HB2 HIS A 86 -8.451 -0.084 -3.010 1.00 70.33 H new ATOM 0 HB3 HIS A 86 -9.233 0.558 -4.441 1.00 70.33 H new ATOM 0 HD2 HIS A 86 -6.722 -2.361 -3.543 1.00 22.12 H new ATOM 0 HE1 HIS A 86 -8.614 -3.228 -7.215 1.00 24.24 H new ATOM 0 HE2 HIS A 86 -7.081 -4.124 -5.414 1.00 53.15 H new ATOM 1463 N SER A 87 -8.267 3.325 -3.577 1.00 44.32 N ATOM 1464 CA SER A 87 -8.739 4.373 -2.663 1.00 0.24 C ATOM 1465 C SER A 87 -9.956 5.083 -3.262 1.00 64.33 C ATOM 1466 O SER A 87 -9.811 5.891 -4.188 1.00 11.44 O ATOM 1467 CB SER A 87 -7.605 5.367 -2.353 1.00 73.10 C ATOM 1468 OG SER A 87 -7.037 5.880 -3.542 1.00 55.23 O ATOM 0 H SER A 87 -8.586 3.440 -4.539 1.00 44.32 H new ATOM 0 HA SER A 87 -9.044 3.915 -1.722 1.00 0.24 H new ATOM 0 HB2 SER A 87 -7.992 6.187 -1.748 1.00 73.10 H new ATOM 0 HB3 SER A 87 -6.834 4.871 -1.763 1.00 73.10 H new ATOM 0 HG SER A 87 -7.749 6.084 -4.183 1.00 55.23 H new ATOM 1474 N GLY A 88 -11.152 4.760 -2.737 1.00 72.21 N ATOM 1475 CA GLY A 88 -12.402 5.340 -3.217 1.00 61.34 C ATOM 1476 C GLY A 88 -12.720 4.925 -4.656 1.00 44.22 C ATOM 1477 O GLY A 88 -13.401 3.919 -4.882 1.00 71.32 O ATOM 0 H GLY A 88 -11.270 4.094 -1.974 1.00 72.21 H new ATOM 0 HA2 GLY A 88 -13.218 5.031 -2.563 1.00 61.34 H new ATOM 0 HA3 GLY A 88 -12.341 6.427 -3.160 1.00 61.34 H new ATOM 1481 N GLY A 89 -12.171 5.673 -5.634 1.00 20.20 N ATOM 1482 CA GLY A 89 -12.367 5.395 -7.065 1.00 72.34 C ATOM 1483 C GLY A 89 -11.070 5.410 -7.876 1.00 65.23 C ATOM 1484 O GLY A 89 -11.117 5.288 -9.105 1.00 74.14 O ATOM 0 H GLY A 89 -11.581 6.485 -5.451 1.00 20.20 H new ATOM 0 HA2 GLY A 89 -12.843 4.421 -7.175 1.00 72.34 H new ATOM 0 HA3 GLY A 89 -13.053 6.134 -7.479 1.00 72.34 H new ATOM 1488 N GLN A 90 -9.906 5.577 -7.205 1.00 64.54 N ATOM 1489 CA GLN A 90 -8.581 5.555 -7.872 1.00 52.21 C ATOM 1490 C GLN A 90 -7.760 4.348 -7.387 1.00 53.32 C ATOM 1491 O GLN A 90 -7.532 4.189 -6.185 1.00 35.43 O ATOM 1492 CB GLN A 90 -7.795 6.873 -7.611 1.00 23.22 C ATOM 1493 CG GLN A 90 -8.445 8.129 -8.216 1.00 4.20 C ATOM 1494 CD GLN A 90 -7.614 9.398 -8.018 1.00 32.53 C ATOM 1495 OE1 GLN A 90 -6.747 9.726 -8.834 1.00 33.45 O ATOM 1496 NE2 GLN A 90 -7.869 10.125 -6.939 1.00 31.42 N ATOM 0 H GLN A 90 -9.857 5.729 -6.198 1.00 64.54 H new ATOM 0 HA GLN A 90 -8.749 5.467 -8.945 1.00 52.21 H new ATOM 0 HB2 GLN A 90 -7.692 7.014 -6.535 1.00 23.22 H new ATOM 0 HB3 GLN A 90 -6.789 6.768 -8.016 1.00 23.22 H new ATOM 0 HG2 GLN A 90 -8.603 7.970 -9.283 1.00 4.20 H new ATOM 0 HG3 GLN A 90 -9.428 8.273 -7.767 1.00 4.20 H new ATOM 0 HE21 GLN A 90 -8.591 9.828 -6.283 1.00 31.42 H new ATOM 0 HE22 GLN A 90 -7.343 10.981 -6.765 1.00 31.42 H new ATOM 1505 N THR A 91 -7.318 3.514 -8.339 1.00 20.42 N ATOM 1506 CA THR A 91 -6.478 2.337 -8.073 1.00 12.30 C ATOM 1507 C THR A 91 -5.168 2.453 -8.878 1.00 1.41 C ATOM 1508 O THR A 91 -5.191 2.813 -10.061 1.00 35.40 O ATOM 1509 CB THR A 91 -7.231 1.019 -8.452 1.00 33.51 C ATOM 1510 OG1 THR A 91 -8.436 0.909 -7.669 1.00 74.43 O ATOM 1511 CG2 THR A 91 -6.362 -0.237 -8.240 1.00 21.01 C ATOM 0 H THR A 91 -7.536 3.639 -9.327 1.00 20.42 H new ATOM 0 HA THR A 91 -6.249 2.299 -7.008 1.00 12.30 H new ATOM 0 HB THR A 91 -7.471 1.075 -9.514 1.00 33.51 H new ATOM 0 HG1 THR A 91 -8.412 0.081 -7.146 1.00 74.43 H new ATOM 0 HG21 THR A 91 -6.931 -1.124 -8.518 1.00 21.01 H new ATOM 0 HG22 THR A 91 -5.468 -0.170 -8.861 1.00 21.01 H new ATOM 0 HG23 THR A 91 -6.071 -0.306 -7.192 1.00 21.01 H new ATOM 1519 N TRP A 92 -4.035 2.173 -8.218 1.00 4.02 N ATOM 1520 CA TRP A 92 -2.700 2.179 -8.832 1.00 51.21 C ATOM 1521 C TRP A 92 -2.172 0.740 -8.890 1.00 43.21 C ATOM 1522 O TRP A 92 -1.985 0.099 -7.844 1.00 11.50 O ATOM 1523 CB TRP A 92 -1.744 3.078 -8.007 1.00 40.14 C ATOM 1524 CG TRP A 92 -2.155 4.535 -7.989 1.00 31.12 C ATOM 1525 CD1 TRP A 92 -1.778 5.502 -8.874 1.00 21.21 C ATOM 1526 CD2 TRP A 92 -3.034 5.181 -7.051 1.00 52.54 C ATOM 1527 NE1 TRP A 92 -2.365 6.697 -8.550 1.00 32.43 N ATOM 1528 CE2 TRP A 92 -3.136 6.530 -7.435 1.00 13.32 C ATOM 1529 CE3 TRP A 92 -3.741 4.751 -5.928 1.00 75.01 C ATOM 1530 CZ2 TRP A 92 -3.917 7.451 -6.740 1.00 44.25 C ATOM 1531 CZ3 TRP A 92 -4.511 5.659 -5.238 1.00 3.22 C ATOM 1532 CH2 TRP A 92 -4.597 6.999 -5.644 1.00 44.31 C ATOM 0 H TRP A 92 -4.021 1.932 -7.227 1.00 4.02 H new ATOM 0 HA TRP A 92 -2.758 2.581 -9.844 1.00 51.21 H new ATOM 0 HB2 TRP A 92 -1.702 2.707 -6.983 1.00 40.14 H new ATOM 0 HB3 TRP A 92 -0.737 2.997 -8.417 1.00 40.14 H new ATOM 0 HD1 TRP A 92 -1.112 5.348 -9.710 1.00 21.21 H new ATOM 0 HE1 TRP A 92 -2.245 7.572 -9.060 1.00 32.43 H new ATOM 0 HE3 TRP A 92 -3.685 3.722 -5.605 1.00 75.01 H new ATOM 0 HZ2 TRP A 92 -3.982 8.482 -7.055 1.00 44.25 H new ATOM 0 HZ3 TRP A 92 -5.060 5.334 -4.367 1.00 3.22 H new ATOM 0 HH2 TRP A 92 -5.211 7.686 -5.081 1.00 44.31 H new ATOM 1543 N THR A 93 -1.962 0.237 -10.114 1.00 11.04 N ATOM 1544 CA THR A 93 -1.398 -1.094 -10.363 1.00 45.15 C ATOM 1545 C THR A 93 0.129 -0.975 -10.536 1.00 73.30 C ATOM 1546 O THR A 93 0.616 -0.518 -11.578 1.00 55.40 O ATOM 1547 CB THR A 93 -2.044 -1.736 -11.642 1.00 35.41 C ATOM 1548 OG1 THR A 93 -1.923 -0.843 -12.763 1.00 41.32 O ATOM 1549 CG2 THR A 93 -3.529 -2.071 -11.438 1.00 41.13 C ATOM 0 H THR A 93 -2.182 0.750 -10.968 1.00 11.04 H new ATOM 0 HA THR A 93 -1.617 -1.740 -9.513 1.00 45.15 H new ATOM 0 HB THR A 93 -1.505 -2.664 -11.834 1.00 35.41 H new ATOM 0 HG1 THR A 93 -1.031 -0.437 -12.763 1.00 41.32 H new ATOM 0 HG21 THR A 93 -3.931 -2.513 -12.350 1.00 41.13 H new ATOM 0 HG22 THR A 93 -3.633 -2.779 -10.616 1.00 41.13 H new ATOM 0 HG23 THR A 93 -4.079 -1.159 -11.203 1.00 41.13 H new ATOM 1557 N PHE A 94 0.873 -1.355 -9.490 1.00 52.25 N ATOM 1558 CA PHE A 94 2.343 -1.399 -9.522 1.00 32.21 C ATOM 1559 C PHE A 94 2.773 -2.805 -9.965 1.00 51.52 C ATOM 1560 O PHE A 94 2.608 -3.776 -9.225 1.00 64.55 O ATOM 1561 CB PHE A 94 2.930 -1.074 -8.120 1.00 70.30 C ATOM 1562 CG PHE A 94 2.468 0.261 -7.536 1.00 32.25 C ATOM 1563 CD1 PHE A 94 3.105 1.454 -7.889 1.00 33.12 C ATOM 1564 CD2 PHE A 94 1.403 0.325 -6.630 1.00 74.22 C ATOM 1565 CE1 PHE A 94 2.698 2.661 -7.352 1.00 1.23 C ATOM 1566 CE2 PHE A 94 0.998 1.532 -6.098 1.00 34.44 C ATOM 1567 CZ PHE A 94 1.645 2.699 -6.460 1.00 53.43 C ATOM 0 H PHE A 94 0.474 -1.641 -8.596 1.00 52.25 H new ATOM 0 HA PHE A 94 2.720 -0.653 -10.222 1.00 32.21 H new ATOM 0 HB2 PHE A 94 2.656 -1.873 -7.431 1.00 70.30 H new ATOM 0 HB3 PHE A 94 4.018 -1.070 -8.187 1.00 70.30 H new ATOM 0 HD1 PHE A 94 3.926 1.433 -8.590 1.00 33.12 H new ATOM 0 HD2 PHE A 94 0.892 -0.582 -6.344 1.00 74.22 H new ATOM 0 HE1 PHE A 94 3.204 3.574 -7.630 1.00 1.23 H new ATOM 0 HE2 PHE A 94 0.176 1.565 -5.399 1.00 34.44 H new ATOM 0 HZ PHE A 94 1.326 3.643 -6.044 1.00 53.43 H new ATOM 1577 N ASN A 95 3.291 -2.901 -11.191 1.00 44.03 N ATOM 1578 CA ASN A 95 3.758 -4.167 -11.777 1.00 62.21 C ATOM 1579 C ASN A 95 5.287 -4.254 -11.673 1.00 11.55 C ATOM 1580 O ASN A 95 5.974 -3.221 -11.703 1.00 65.41 O ATOM 1581 CB ASN A 95 3.316 -4.261 -13.256 1.00 51.34 C ATOM 1582 CG ASN A 95 1.793 -4.334 -13.433 1.00 11.25 C ATOM 1583 OD1 ASN A 95 1.113 -3.309 -13.527 1.00 45.54 O ATOM 1584 ND2 ASN A 95 1.240 -5.538 -13.462 1.00 43.04 N ATOM 0 H ASN A 95 3.401 -2.100 -11.812 1.00 44.03 H new ATOM 0 HA ASN A 95 3.318 -4.999 -11.228 1.00 62.21 H new ATOM 0 HB2 ASN A 95 3.696 -3.394 -13.797 1.00 51.34 H new ATOM 0 HB3 ASN A 95 3.770 -5.143 -13.708 1.00 51.34 H new ATOM 0 HD21 ASN A 95 0.230 -5.633 -13.564 1.00 43.04 H new ATOM 0 HD22 ASN A 95 1.825 -6.370 -13.382 1.00 43.04 H new ATOM 1591 N GLU A 96 5.796 -5.494 -11.525 1.00 71.32 N ATOM 1592 CA GLU A 96 7.239 -5.793 -11.547 1.00 63.03 C ATOM 1593 C GLU A 96 7.844 -5.418 -12.914 1.00 0.04 C ATOM 1594 O GLU A 96 7.243 -5.676 -13.968 1.00 64.10 O ATOM 1595 CB GLU A 96 7.497 -7.290 -11.157 1.00 21.44 C ATOM 1596 CG GLU A 96 6.577 -8.352 -11.835 1.00 11.33 C ATOM 1597 CD GLU A 96 7.036 -8.814 -13.229 1.00 75.51 C ATOM 1598 OE1 GLU A 96 8.123 -9.416 -13.326 1.00 2.23 O ATOM 1599 OE2 GLU A 96 6.298 -8.632 -14.217 1.00 12.32 O ATOM 0 H GLU A 96 5.213 -6.319 -11.386 1.00 71.32 H new ATOM 0 HA GLU A 96 7.745 -5.183 -10.799 1.00 63.03 H new ATOM 0 HB2 GLU A 96 8.532 -7.532 -11.397 1.00 21.44 H new ATOM 0 HB3 GLU A 96 7.390 -7.385 -10.076 1.00 21.44 H new ATOM 0 HG2 GLU A 96 6.511 -9.223 -11.183 1.00 11.33 H new ATOM 0 HG3 GLU A 96 5.571 -7.940 -11.918 1.00 11.33 H new ATOM 1606 N LYS A 97 9.011 -4.759 -12.877 1.00 24.24 N ATOM 1607 CA LYS A 97 9.643 -4.174 -14.066 1.00 43.24 C ATOM 1608 C LYS A 97 10.679 -5.175 -14.652 1.00 1.04 C ATOM 1609 O LYS A 97 10.295 -6.008 -15.502 1.00 44.31 O ATOM 1610 CB LYS A 97 10.282 -2.796 -13.697 1.00 3.35 C ATOM 1611 CG LYS A 97 9.324 -1.798 -12.994 1.00 72.42 C ATOM 1612 CD LYS A 97 8.064 -1.442 -13.822 1.00 34.42 C ATOM 1613 CE LYS A 97 8.394 -0.750 -15.156 1.00 71.52 C ATOM 1614 NZ LYS A 97 7.173 -0.454 -15.947 1.00 5.52 N ATOM 1615 OXT LYS A 97 11.859 -5.146 -14.246 1.00 37.52 O ATOM 0 H LYS A 97 9.544 -4.617 -12.019 1.00 24.24 H new ATOM 0 HA LYS A 97 8.898 -3.988 -14.840 1.00 43.24 H new ATOM 0 HB2 LYS A 97 11.140 -2.972 -13.048 1.00 3.35 H new ATOM 0 HB3 LYS A 97 10.661 -2.333 -14.608 1.00 3.35 H new ATOM 0 HG2 LYS A 97 9.011 -2.222 -12.040 1.00 72.42 H new ATOM 0 HG3 LYS A 97 9.871 -0.882 -12.772 1.00 72.42 H new ATOM 0 HD2 LYS A 97 7.499 -2.352 -14.022 1.00 34.42 H new ATOM 0 HD3 LYS A 97 7.420 -0.790 -13.231 1.00 34.42 H new ATOM 0 HE2 LYS A 97 8.932 0.177 -14.960 1.00 71.52 H new ATOM 0 HE3 LYS A 97 9.059 -1.387 -15.740 1.00 71.52 H new ATOM 0 HZ1 LYS A 97 7.441 0.012 -16.838 1.00 5.52 H new ATOM 0 HZ2 LYS A 97 6.672 -1.341 -16.157 1.00 5.52 H new ATOM 0 HZ3 LYS A 97 6.550 0.175 -15.401 1.00 5.52 H new TER 1629 LYS A 97