USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 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: B 29 SER OG : rot -24:sc= 0.998 USER MOD Set 1.2: B 32 SER OG : rot -9:sc= 2.98 USER MOD Set 2.1: B 11 MET CE :methyl -160:sc= -1.7 (180deg=-3.18!) USER MOD Set 2.2: B 30 MET CE :methyl -134:sc= -4.62! (180deg=-8.74!) USER MOD Set 3.1: A 6 HIS : no HE2:sc= -0.669 K(o=-0.61,f=-2.3) USER MOD Set 3.2: B 8 ASN : amide:sc= 0.056 K(o=-0.61,f=-2.3!) USER MOD Set 4.1: A 11 MET CE :methyl -141:sc= -2.79 (180deg=-6.63!) USER MOD Set 4.2: A 30 MET CE :methyl -169:sc= -6.88! (180deg=-6.63!) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 MET CE :methyl -177:sc= -0.0832 (180deg=-0.103) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.0034) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.324 F(o=-2.8!,f=-0.32) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : B 6 HIS : no HD1:sc= -0.0825 X(o=-0.082,f=-0.34) USER MOD Single : B 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ -142:sc= 0.261 (180deg=0.0158) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= 0.712 K(o=0.71,f=-0.75) USER MOD Single : B 31 ASN : amide:sc= 0.559 K(o=0.56,f=-1.1) USER MOD Single : B 36 GLN : amide:sc=-0.00936 X(o=-0.0094,f=0) USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.150 -12.850 -6.533 1.00 0.00 N ATOM 26 CA ASP A 4 12.926 -12.462 -5.775 1.00 0.00 C ATOM 27 C ASP A 4 12.177 -13.688 -5.141 1.00 0.00 C ATOM 28 O ASP A 4 11.240 -14.217 -5.747 1.00 0.00 O ATOM 29 CB ASP A 4 12.076 -11.541 -6.690 1.00 0.00 C ATOM 30 CG ASP A 4 11.359 -12.040 -7.949 1.00 0.00 C ATOM 31 OD1 ASP A 4 11.899 -13.166 -8.487 1.00 0.00 O ATOM 32 OD2 ASP A 4 10.390 -11.459 -8.427 1.00 0.00 O ATOM 0 HA ASP A 4 13.187 -11.889 -4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.310 -11.097 -6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.733 -10.732 -7.009 1.00 0.00 H new ATOM 33 N PRO A 5 12.534 -14.151 -3.911 1.00 0.00 N ATOM 34 CA PRO A 5 11.809 -15.252 -3.215 1.00 0.00 C ATOM 35 C PRO A 5 10.346 -14.968 -2.739 1.00 0.00 C ATOM 36 O PRO A 5 9.943 -13.822 -2.531 1.00 0.00 O ATOM 37 CB PRO A 5 12.760 -15.553 -2.038 1.00 0.00 C ATOM 38 CG PRO A 5 13.458 -14.217 -1.806 1.00 0.00 C ATOM 39 CD PRO A 5 13.735 -13.695 -3.187 1.00 0.00 C ATOM 0 HA PRO A 5 11.618 -16.079 -3.899 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.215 -15.882 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.471 -16.341 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.826 -13.531 -1.241 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.379 -14.343 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.839 -12.610 -3.204 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.651 -14.109 -3.608 1.00 0.00 H new ATOM 40 N HIS A 6 9.581 -16.053 -2.556 1.00 0.00 N ATOM 41 CA HIS A 6 8.117 -15.997 -2.289 1.00 0.00 C ATOM 42 C HIS A 6 7.718 -15.797 -0.789 1.00 0.00 C ATOM 43 O HIS A 6 8.284 -16.442 0.101 1.00 0.00 O ATOM 44 CB HIS A 6 7.473 -17.300 -2.856 1.00 0.00 C ATOM 45 CG HIS A 6 7.443 -17.400 -4.382 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.473 -17.953 -5.125 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.571 -16.677 -5.210 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.133 -17.468 -6.361 1.00 0.00 C ATOM 49 NE2 HIS A 6 6.991 -16.734 -6.525 1.00 0.00 N ATOM 0 H HIS A 6 9.951 -17.003 -2.587 1.00 0.00 H new ATOM 0 HA HIS A 6 7.739 -15.104 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.019 -18.157 -2.462 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.452 -17.374 -2.483 1.00 0.00 H new ATOM 0 HD1 HIS A 6 9.252 -18.545 -4.838 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.693 -16.149 -4.867 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.770 -17.667 -7.210 1.00 0.00 H new ATOM 50 N PHE A 7 6.623 -15.061 -0.500 1.00 0.00 N ATOM 51 CA PHE A 7 5.654 -15.530 0.526 1.00 0.00 C ATOM 52 C PHE A 7 4.218 -15.511 -0.074 1.00 0.00 C ATOM 53 O PHE A 7 3.795 -14.551 -0.733 1.00 0.00 O ATOM 54 CB PHE A 7 5.842 -14.836 1.904 1.00 0.00 C ATOM 55 CG PHE A 7 5.034 -13.578 2.267 1.00 0.00 C ATOM 56 CD1 PHE A 7 3.763 -13.701 2.848 1.00 0.00 C ATOM 57 CD2 PHE A 7 5.591 -12.301 2.128 1.00 0.00 C ATOM 58 CE1 PHE A 7 3.094 -12.579 3.303 1.00 0.00 C ATOM 59 CE2 PHE A 7 4.926 -11.188 2.619 1.00 0.00 C ATOM 60 CZ PHE A 7 3.705 -11.342 3.262 1.00 0.00 C ATOM 0 H PHE A 7 6.389 -14.172 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 7 5.856 -16.571 0.780 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.634 -15.583 2.670 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.897 -14.576 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 7 3.305 -14.675 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.545 -12.182 1.635 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.091 -12.671 3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.356 -10.204 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.232 -10.492 3.731 1.00 0.00 H new ATOM 61 N ASN A 8 3.435 -16.567 0.186 1.00 0.00 N ATOM 62 CA ASN A 8 2.020 -16.611 -0.257 1.00 0.00 C ATOM 63 C ASN A 8 1.140 -15.664 0.612 1.00 0.00 C ATOM 64 O ASN A 8 0.618 -16.073 1.653 1.00 0.00 O ATOM 65 CB ASN A 8 1.506 -18.074 -0.315 1.00 0.00 C ATOM 66 CG ASN A 8 2.153 -19.016 -1.336 1.00 0.00 C ATOM 67 OD1 ASN A 8 3.013 -18.671 -2.137 1.00 0.00 O ATOM 68 ND2 ASN A 8 1.743 -20.256 -1.350 1.00 0.00 N ATOM 0 H ASN A 8 3.745 -17.396 0.694 1.00 0.00 H new ATOM 0 HA ASN A 8 1.948 -16.231 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.633 -18.514 0.674 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.435 -18.046 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.138 -20.916 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.028 -20.564 -0.691 1.00 0.00 H new ATOM 69 N PHE A 9 0.960 -14.401 0.164 1.00 0.00 N ATOM 70 CA PHE A 9 -0.097 -13.530 0.695 1.00 0.00 C ATOM 71 C PHE A 9 -1.504 -14.053 0.263 1.00 0.00 C ATOM 72 O PHE A 9 -1.696 -15.031 -0.453 1.00 0.00 O ATOM 73 CB PHE A 9 0.294 -12.073 0.331 1.00 0.00 C ATOM 74 CG PHE A 9 -0.340 -10.971 1.197 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.356 -11.031 2.600 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.651 -9.754 0.586 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.729 -9.924 3.348 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.044 -8.657 1.329 1.00 0.00 C ATOM 79 CZ PHE A 9 -1.018 -8.735 2.704 1.00 0.00 C ATOM 0 H PHE A 9 1.533 -13.969 -0.561 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.185 -13.544 1.781 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.378 -11.981 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.021 -11.893 -0.709 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.076 -11.946 3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.583 -9.669 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.793 -9.990 4.424 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.367 -7.751 0.838 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.227 -7.852 3.289 1.00 0.00 H new ATOM 80 N ARG A 10 -2.479 -13.545 0.969 1.00 0.00 N ATOM 81 CA ARG A 10 -3.472 -14.381 1.710 1.00 0.00 C ATOM 82 C ARG A 10 -4.342 -13.418 2.549 1.00 0.00 C ATOM 83 O ARG A 10 -3.886 -12.907 3.580 1.00 0.00 O ATOM 84 CB ARG A 10 -2.816 -15.457 2.628 1.00 0.00 C ATOM 85 CG ARG A 10 -3.681 -16.680 2.967 1.00 0.00 C ATOM 86 CD ARG A 10 -4.932 -16.486 3.840 1.00 0.00 C ATOM 87 NE ARG A 10 -5.037 -17.561 4.866 1.00 0.00 N ATOM 88 CZ ARG A 10 -5.703 -18.703 4.750 1.00 0.00 C ATOM 89 NH1 ARG A 10 -6.404 -19.055 3.717 1.00 0.00 N ATOM 90 NH2 ARG A 10 -5.644 -19.518 5.743 1.00 0.00 N ATOM 0 H ARG A 10 -2.634 -12.542 1.066 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.066 -14.941 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.903 -15.807 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.521 -14.977 3.561 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.002 -17.128 2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.041 -17.408 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.891 -15.513 4.330 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.823 -16.489 3.212 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.547 -17.403 5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.473 -18.433 2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.886 -19.954 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.102 -19.274 6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.139 -20.409 5.702 1.00 0.00 H new ATOM 91 N MET A 11 -5.537 -13.066 2.064 1.00 0.00 N ATOM 92 CA MET A 11 -6.133 -11.754 2.466 1.00 0.00 C ATOM 93 C MET A 11 -7.686 -11.821 2.581 1.00 0.00 C ATOM 94 O MET A 11 -8.297 -12.282 1.609 1.00 0.00 O ATOM 95 CB MET A 11 -5.731 -10.610 1.489 1.00 0.00 C ATOM 96 CG MET A 11 -4.299 -10.550 0.926 1.00 0.00 C ATOM 97 SD MET A 11 -4.150 -9.200 -0.243 1.00 0.00 S ATOM 98 CE MET A 11 -3.012 -9.934 -1.435 1.00 0.00 C ATOM 0 H MET A 11 -6.100 -13.627 1.424 1.00 0.00 H new ATOM 0 HA MET A 11 -5.725 -11.532 3.452 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.412 -10.654 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 11 -5.919 -9.666 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.586 -10.417 1.739 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.053 -11.493 0.437 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.304 -9.178 -1.775 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.469 -10.753 -0.963 1.00 0.00 H new ATOM 0 HE3 MET A 11 -3.574 -10.315 -2.288 1.00 0.00 H new ATOM 99 N PRO A 12 -8.385 -11.337 3.659 1.00 0.00 N ATOM 100 CA PRO A 12 -9.873 -11.217 3.679 1.00 0.00 C ATOM 101 C PRO A 12 -10.554 -10.650 2.394 1.00 0.00 C ATOM 102 O PRO A 12 -9.950 -9.926 1.584 1.00 0.00 O ATOM 103 CB PRO A 12 -10.120 -10.424 4.973 1.00 0.00 C ATOM 104 CG PRO A 12 -8.957 -10.812 5.886 1.00 0.00 C ATOM 105 CD PRO A 12 -7.765 -10.950 4.940 1.00 0.00 C ATOM 0 HA PRO A 12 -10.361 -12.192 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.136 -9.351 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.080 -10.683 5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.776 -10.051 6.645 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.158 -11.746 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.212 -10.015 4.852 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.061 -11.705 5.289 1.00 0.00 H new ATOM 106 N MET A 13 -11.794 -11.096 2.151 1.00 0.00 N ATOM 107 CA MET A 13 -12.431 -10.928 0.813 1.00 0.00 C ATOM 108 C MET A 13 -12.707 -9.466 0.338 1.00 0.00 C ATOM 109 O MET A 13 -12.657 -9.178 -0.859 1.00 0.00 O ATOM 110 CB MET A 13 -13.675 -11.843 0.738 1.00 0.00 C ATOM 111 CG MET A 13 -14.346 -11.937 -0.650 1.00 0.00 C ATOM 112 SD MET A 13 -13.164 -12.036 -2.025 1.00 0.00 S ATOM 113 CE MET A 13 -12.191 -13.498 -1.618 1.00 0.00 C ATOM 0 H MET A 13 -12.377 -11.569 2.841 1.00 0.00 H new ATOM 0 HA MET A 13 -11.686 -11.239 0.081 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.387 -12.846 1.052 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.413 -11.484 1.456 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.992 -12.815 -0.673 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.986 -11.067 -0.794 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.402 -13.628 -2.359 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.745 -13.375 -0.631 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.837 -14.376 -1.618 1.00 0.00 H new ATOM 114 N GLU A 14 -12.928 -8.531 1.263 1.00 0.00 N ATOM 115 CA GLU A 14 -12.698 -7.091 1.013 1.00 0.00 C ATOM 116 C GLU A 14 -11.256 -6.668 0.573 1.00 0.00 C ATOM 117 O GLU A 14 -11.151 -5.958 -0.415 1.00 0.00 O ATOM 118 CB GLU A 14 -13.301 -6.278 2.196 1.00 0.00 C ATOM 119 CG GLU A 14 -12.446 -6.109 3.486 1.00 0.00 C ATOM 120 CD GLU A 14 -12.174 -7.341 4.354 1.00 0.00 C ATOM 121 OE1 GLU A 14 -12.720 -8.432 4.208 1.00 0.00 O ATOM 122 OE2 GLU A 14 -11.237 -7.083 5.310 1.00 0.00 O ATOM 0 H GLU A 14 -13.269 -8.739 2.202 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.232 -6.835 0.098 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.544 -5.282 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.241 -6.751 2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.483 -5.693 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.937 -5.365 4.113 1.00 0.00 H new ATOM 123 N VAL A 15 -10.161 -7.096 1.219 1.00 0.00 N ATOM 124 CA VAL A 15 -8.762 -6.713 0.837 1.00 0.00 C ATOM 125 C VAL A 15 -8.331 -7.132 -0.575 1.00 0.00 C ATOM 126 O VAL A 15 -7.731 -6.299 -1.231 1.00 0.00 O ATOM 127 CB VAL A 15 -7.689 -7.282 1.827 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.391 -6.461 1.839 1.00 0.00 C ATOM 129 CG2 VAL A 15 -8.103 -7.433 3.311 1.00 0.00 C ATOM 0 H VAL A 15 -10.204 -7.720 2.025 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.802 -5.625 0.878 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.555 -8.280 1.410 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.687 -6.904 2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.953 -6.458 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.611 -5.437 2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.267 -7.837 3.883 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.380 -6.458 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.954 -8.111 3.384 1.00 0.00 H new ATOM 130 N ARG A 16 -8.544 -8.364 -1.039 1.00 0.00 N ATOM 131 CA ARG A 16 -8.299 -8.682 -2.469 1.00 0.00 C ATOM 132 C ARG A 16 -9.499 -9.076 -3.346 1.00 0.00 C ATOM 133 O ARG A 16 -9.256 -9.447 -4.485 1.00 0.00 O ATOM 134 CB ARG A 16 -6.973 -9.411 -2.682 1.00 0.00 C ATOM 135 CG ARG A 16 -6.719 -10.790 -2.112 1.00 0.00 C ATOM 136 CD ARG A 16 -7.185 -11.966 -2.973 1.00 0.00 C ATOM 137 NE ARG A 16 -6.328 -12.133 -4.178 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.053 -13.284 -4.781 1.00 0.00 C ATOM 139 NH1 ARG A 16 -6.386 -14.453 -4.328 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.408 -13.231 -5.889 1.00 0.00 N ATOM 0 H ARG A 16 -8.876 -9.146 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.154 -7.711 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.822 -9.483 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.190 -8.760 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.649 -10.897 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.212 -10.857 -1.142 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.165 -12.881 -2.382 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.219 -11.807 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.915 -11.289 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.896 -14.533 -3.449 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.137 -15.293 -4.851 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.127 -12.329 -6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.176 -14.091 -6.386 1.00 0.00 H new ATOM 141 N GLU A 17 -10.733 -8.629 -3.052 1.00 0.00 N ATOM 142 CA GLU A 17 -11.440 -7.804 -4.062 1.00 0.00 C ATOM 143 C GLU A 17 -10.849 -6.377 -4.220 1.00 0.00 C ATOM 144 O GLU A 17 -10.598 -5.971 -5.338 1.00 0.00 O ATOM 145 CB GLU A 17 -12.961 -7.846 -3.854 1.00 0.00 C ATOM 146 CG GLU A 17 -13.621 -6.857 -2.863 1.00 0.00 C ATOM 147 CD GLU A 17 -15.047 -7.214 -2.468 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.087 -8.286 -1.626 1.00 0.00 O ATOM 149 OE2 GLU A 17 -16.033 -6.596 -2.855 1.00 0.00 O ATOM 0 H GLU A 17 -11.239 -8.806 -2.184 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.259 -8.261 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.428 -7.694 -4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.219 -8.854 -3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.010 -6.804 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.619 -5.862 -3.308 1.00 0.00 H new ATOM 150 N LYS A 18 -10.552 -5.632 -3.151 1.00 0.00 N ATOM 151 CA LYS A 18 -9.944 -4.278 -3.260 1.00 0.00 C ATOM 152 C LYS A 18 -8.544 -4.200 -3.951 1.00 0.00 C ATOM 153 O LYS A 18 -8.412 -3.472 -4.928 1.00 0.00 O ATOM 154 CB LYS A 18 -10.092 -3.529 -1.927 1.00 0.00 C ATOM 155 CG LYS A 18 -11.499 -3.061 -1.472 1.00 0.00 C ATOM 156 CD LYS A 18 -11.496 -2.281 -0.132 1.00 0.00 C ATOM 157 CE LYS A 18 -11.076 -3.084 1.111 1.00 0.00 C ATOM 158 NZ LYS A 18 -11.086 -2.218 2.305 1.00 0.00 N ATOM 0 H LYS A 18 -10.719 -5.935 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.523 -3.726 -4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.691 -4.172 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.453 -2.647 -1.974 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.930 -2.429 -2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.147 -3.932 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.826 -1.427 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.497 -1.883 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.755 -3.924 1.257 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.080 -3.501 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.801 -2.772 3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.421 -1.430 2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.044 -1.840 2.452 1.00 0.00 H new ATOM 159 N LEU A 19 -7.546 -4.981 -3.538 1.00 0.00 N ATOM 160 CA LEU A 19 -6.287 -5.194 -4.275 1.00 0.00 C ATOM 161 C LEU A 19 -6.459 -5.942 -5.651 1.00 0.00 C ATOM 162 O LEU A 19 -5.819 -5.509 -6.612 1.00 0.00 O ATOM 163 CB LEU A 19 -5.310 -5.834 -3.257 1.00 0.00 C ATOM 164 CG LEU A 19 -4.219 -5.072 -2.462 1.00 0.00 C ATOM 165 CD1 LEU A 19 -3.498 -6.106 -1.576 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.130 -4.452 -3.360 1.00 0.00 C ATOM 0 H LEU A 19 -7.585 -5.499 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.867 -4.254 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.936 -6.323 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.788 -6.621 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.715 -4.271 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.719 -5.609 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.216 -6.567 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.048 -6.874 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.399 -3.934 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.633 -5.240 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.588 -3.743 -4.050 1.00 0.00 H new ATOM 167 N LYS A 20 -7.254 -7.038 -5.813 1.00 0.00 N ATOM 168 CA LYS A 20 -7.363 -7.731 -7.114 1.00 0.00 C ATOM 169 C LYS A 20 -8.290 -6.993 -8.147 1.00 0.00 C ATOM 170 O LYS A 20 -8.042 -7.105 -9.342 1.00 0.00 O ATOM 171 CB LYS A 20 -7.790 -9.192 -6.918 1.00 0.00 C ATOM 172 CG LYS A 20 -7.553 -10.132 -8.117 1.00 0.00 C ATOM 173 CD LYS A 20 -8.072 -11.584 -7.977 1.00 0.00 C ATOM 174 CE LYS A 20 -9.182 -11.844 -6.943 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.725 -13.209 -7.099 1.00 0.00 N ATOM 0 H LYS A 20 -7.817 -7.449 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.366 -7.714 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.257 -9.593 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.852 -9.210 -6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.020 -9.687 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.481 -10.171 -8.312 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.438 -11.906 -8.952 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.224 -12.222 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.786 -11.717 -5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.980 -11.112 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.473 -13.368 -6.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.121 -13.318 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.964 -13.904 -6.959 1.00 0.00 H new ATOM 176 N PHE A 21 -9.327 -6.234 -7.726 1.00 0.00 N ATOM 177 CA PHE A 21 -9.972 -5.183 -8.554 1.00 0.00 C ATOM 178 C PHE A 21 -9.003 -4.047 -8.882 1.00 0.00 C ATOM 179 O PHE A 21 -8.645 -3.981 -10.037 1.00 0.00 O ATOM 180 CB PHE A 21 -11.229 -4.578 -7.870 1.00 0.00 C ATOM 181 CG PHE A 21 -12.486 -5.421 -7.746 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.754 -6.538 -8.539 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.411 -5.012 -6.788 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.915 -7.268 -8.336 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.574 -5.735 -6.588 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.832 -6.872 -7.359 1.00 0.00 C ATOM 0 H PHE A 21 -9.743 -6.332 -6.800 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.276 -5.682 -9.474 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.939 -4.272 -6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.495 -3.672 -8.415 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.058 -6.833 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.220 -4.127 -6.199 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.111 -8.145 -8.935 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.282 -5.421 -5.836 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.736 -7.442 -7.200 1.00 0.00 H new ATOM 187 N ARG A 22 -8.511 -3.186 -7.986 1.00 0.00 N ATOM 188 CA ARG A 22 -7.328 -2.307 -8.266 1.00 0.00 C ATOM 189 C ARG A 22 -6.302 -2.848 -9.361 1.00 0.00 C ATOM 190 O ARG A 22 -6.178 -2.292 -10.453 1.00 0.00 O ATOM 191 CB ARG A 22 -6.824 -1.904 -6.879 1.00 0.00 C ATOM 192 CG ARG A 22 -6.034 -0.583 -6.838 1.00 0.00 C ATOM 193 CD ARG A 22 -5.649 -0.357 -5.385 1.00 0.00 C ATOM 194 NE ARG A 22 -4.947 0.931 -5.213 1.00 0.00 N ATOM 195 CZ ARG A 22 -5.325 1.910 -4.386 1.00 0.00 C ATOM 196 NH1 ARG A 22 -6.427 1.919 -3.696 1.00 0.00 N ATOM 197 NH2 ARG A 22 -4.544 2.917 -4.251 1.00 0.00 N ATOM 0 H ARG A 22 -8.902 -3.065 -7.052 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.579 -1.404 -8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.678 -1.821 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.191 -2.702 -6.492 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.148 -0.641 -7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.639 0.243 -7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.543 -0.373 -4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.009 -1.171 -5.045 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.107 1.085 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.078 1.137 -3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.640 2.708 -3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.665 2.953 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.802 3.682 -3.628 1.00 0.00 H new ATOM 198 N ALA A 23 -5.861 -4.109 -9.263 1.00 0.00 N ATOM 199 CA ALA A 23 -5.350 -4.866 -10.436 1.00 0.00 C ATOM 200 C ALA A 23 -6.292 -5.005 -11.710 1.00 0.00 C ATOM 201 O ALA A 23 -6.085 -4.282 -12.689 1.00 0.00 O ATOM 202 CB ALA A 23 -4.779 -6.132 -9.795 1.00 0.00 C ATOM 0 H ALA A 23 -5.844 -4.634 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.588 -4.316 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.367 -6.778 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.991 -5.861 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.571 -6.661 -9.265 1.00 0.00 H new ATOM 203 N GLU A 24 -7.312 -5.878 -11.679 1.00 0.00 N ATOM 204 CA GLU A 24 -8.275 -6.135 -12.805 1.00 0.00 C ATOM 205 C GLU A 24 -9.309 -5.014 -13.209 1.00 0.00 C ATOM 206 O GLU A 24 -9.482 -4.736 -14.396 1.00 0.00 O ATOM 207 CB GLU A 24 -9.036 -7.465 -12.518 1.00 0.00 C ATOM 208 CG GLU A 24 -8.174 -8.744 -12.361 1.00 0.00 C ATOM 209 CD GLU A 24 -8.985 -10.032 -12.265 1.00 0.00 C ATOM 210 OE1 GLU A 24 -9.298 -10.536 -13.488 1.00 0.00 O ATOM 211 OE2 GLU A 24 -9.317 -10.560 -11.210 1.00 0.00 O ATOM 0 H GLU A 24 -7.510 -6.448 -10.857 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.625 -6.172 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.618 -7.333 -11.606 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.746 -7.631 -13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.494 -8.818 -13.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.558 -8.647 -11.467 1.00 0.00 H new ATOM 229 N ARG A 28 -3.142 -2.972 -13.242 1.00 0.00 N ATOM 230 CA ARG A 28 -1.942 -3.823 -12.960 1.00 0.00 C ATOM 231 C ARG A 28 -2.454 -5.280 -12.689 1.00 0.00 C ATOM 232 O ARG A 28 -3.633 -5.598 -12.855 1.00 0.00 O ATOM 233 CB ARG A 28 -1.039 -2.983 -11.999 1.00 0.00 C ATOM 234 CG ARG A 28 -0.362 -1.726 -12.630 1.00 0.00 C ATOM 235 CD ARG A 28 0.432 -0.755 -11.717 1.00 0.00 C ATOM 236 NE ARG A 28 -0.402 0.230 -10.990 1.00 0.00 N ATOM 237 CZ ARG A 28 -0.729 0.212 -9.712 1.00 0.00 C ATOM 238 NH1 ARG A 28 -0.221 -0.583 -8.833 1.00 0.00 N ATOM 239 NH2 ARG A 28 -1.594 1.062 -9.319 1.00 0.00 N ATOM 0 HA ARG A 28 -1.222 -4.054 -13.745 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.644 -2.660 -11.152 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.258 -3.633 -11.604 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.318 -2.075 -13.407 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.142 -1.147 -13.125 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.996 -1.340 -10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.158 -0.217 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.764 1.010 -11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.489 -1.262 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.529 -0.533 -7.862 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.002 1.719 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.878 1.085 -8.340 1.00 0.00 H new ATOM 240 N SER A 29 -1.591 -6.250 -12.410 1.00 0.00 N ATOM 241 CA SER A 29 -2.020 -7.687 -12.319 1.00 0.00 C ATOM 242 C SER A 29 -1.425 -8.217 -11.009 1.00 0.00 C ATOM 243 O SER A 29 -0.211 -8.272 -10.945 1.00 0.00 O ATOM 244 CB SER A 29 -1.617 -8.455 -13.605 1.00 0.00 C ATOM 245 OG SER A 29 -0.205 -8.454 -13.843 1.00 0.00 O ATOM 0 H SER A 29 -0.597 -6.096 -12.241 1.00 0.00 H new ATOM 0 HA SER A 29 -3.101 -7.821 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.966 -9.485 -13.530 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.124 -8.009 -14.461 1.00 0.00 H new ATOM 0 HG SER A 29 -0.011 -8.953 -14.664 1.00 0.00 H new ATOM 246 N MET A 30 -2.175 -8.440 -9.914 1.00 0.00 N ATOM 247 CA MET A 30 -1.699 -8.104 -8.537 1.00 0.00 C ATOM 248 C MET A 30 -0.208 -8.331 -8.142 1.00 0.00 C ATOM 249 O MET A 30 0.383 -7.435 -7.572 1.00 0.00 O ATOM 250 CB MET A 30 -2.540 -8.873 -7.511 1.00 0.00 C ATOM 251 CG MET A 30 -3.740 -8.184 -6.908 1.00 0.00 C ATOM 252 SD MET A 30 -3.249 -7.693 -5.271 1.00 0.00 S ATOM 253 CE MET A 30 -4.467 -8.635 -4.396 1.00 0.00 C ATOM 0 H MET A 30 -3.109 -8.849 -9.943 1.00 0.00 H new ATOM 0 HA MET A 30 -1.810 -7.020 -8.539 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.888 -9.790 -7.987 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.881 -9.167 -6.694 1.00 0.00 H new ATOM 0 HG2 MET A 30 -4.034 -7.320 -7.503 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.599 -8.854 -6.874 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.478 -8.332 -3.349 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.449 -8.458 -4.835 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.225 -9.696 -4.464 1.00 0.00 H new ATOM 254 N ASN A 31 0.472 -9.440 -8.426 1.00 0.00 N ATOM 255 CA ASN A 31 1.965 -9.444 -8.367 1.00 0.00 C ATOM 256 C ASN A 31 2.676 -8.159 -8.994 1.00 0.00 C ATOM 257 O ASN A 31 3.396 -7.480 -8.274 1.00 0.00 O ATOM 258 CB ASN A 31 2.463 -10.817 -8.887 1.00 0.00 C ATOM 259 CG ASN A 31 3.960 -11.087 -8.768 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.650 -11.324 -9.750 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.513 -11.062 -7.585 1.00 0.00 N ATOM 0 H ASN A 31 0.048 -10.328 -8.693 1.00 0.00 H new ATOM 0 HA ASN A 31 2.280 -9.338 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.931 -11.600 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.182 -10.907 -9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.513 -11.239 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.945 -10.865 -6.761 1.00 0.00 H new ATOM 262 N SER A 32 2.288 -7.722 -10.205 1.00 0.00 N ATOM 263 CA SER A 32 2.280 -6.280 -10.623 1.00 0.00 C ATOM 264 C SER A 32 1.518 -5.210 -9.753 1.00 0.00 C ATOM 265 O SER A 32 2.184 -4.301 -9.250 1.00 0.00 O ATOM 266 CB SER A 32 1.981 -6.220 -12.143 1.00 0.00 C ATOM 267 OG SER A 32 1.978 -4.877 -12.635 1.00 0.00 O ATOM 0 H SER A 32 1.966 -8.353 -10.939 1.00 0.00 H new ATOM 0 HA SER A 32 3.283 -5.917 -10.399 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.728 -6.802 -12.683 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.013 -6.681 -12.341 1.00 0.00 H new ATOM 0 HG SER A 32 1.788 -4.881 -13.596 1.00 0.00 H new ATOM 268 N GLU A 33 0.180 -5.228 -9.569 1.00 0.00 N ATOM 269 CA GLU A 33 -0.521 -4.123 -8.806 1.00 0.00 C ATOM 270 C GLU A 33 -0.259 -4.046 -7.282 1.00 0.00 C ATOM 271 O GLU A 33 0.064 -2.974 -6.784 1.00 0.00 O ATOM 272 CB GLU A 33 -2.042 -4.261 -8.912 1.00 0.00 C ATOM 273 CG GLU A 33 -2.775 -2.907 -8.747 1.00 0.00 C ATOM 274 CD GLU A 33 -3.165 -2.491 -7.326 1.00 0.00 C ATOM 275 OE1 GLU A 33 -3.720 -3.230 -6.521 1.00 0.00 O ATOM 276 OE2 GLU A 33 -2.847 -1.193 -7.064 1.00 0.00 O ATOM 0 H GLU A 33 -0.437 -5.962 -9.918 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.104 -3.235 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.297 -4.693 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.394 -4.956 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.140 -2.126 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.682 -2.938 -9.351 1.00 0.00 H new ATOM 277 N LEU A 34 -0.433 -5.170 -6.546 1.00 0.00 N ATOM 278 CA LEU A 34 0.107 -5.370 -5.188 1.00 0.00 C ATOM 279 C LEU A 34 1.581 -4.856 -5.186 1.00 0.00 C ATOM 280 O LEU A 34 1.822 -3.957 -4.402 1.00 0.00 O ATOM 281 CB LEU A 34 -0.067 -6.866 -4.764 1.00 0.00 C ATOM 282 CG LEU A 34 -0.449 -7.310 -3.318 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.075 -8.712 -2.954 1.00 0.00 C ATOM 284 CD2 LEU A 34 -0.041 -6.426 -2.129 1.00 0.00 C ATOM 0 H LEU A 34 -0.961 -5.973 -6.888 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.436 -4.799 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.825 -7.287 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.874 -7.364 -5.000 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.532 -7.246 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.225 -8.960 -1.936 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.341 -9.446 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.163 -8.724 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.385 -6.883 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.044 -6.328 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.492 -5.440 -2.237 1.00 0.00 H new ATOM 285 N LEU A 35 2.556 -5.277 -6.051 1.00 0.00 N ATOM 286 CA LEU A 35 3.949 -4.766 -5.900 1.00 0.00 C ATOM 287 C LEU A 35 4.116 -3.268 -6.125 1.00 0.00 C ATOM 288 O LEU A 35 4.638 -2.587 -5.253 1.00 0.00 O ATOM 289 CB LEU A 35 5.025 -5.442 -6.775 1.00 0.00 C ATOM 290 CG LEU A 35 5.700 -6.700 -6.229 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.840 -6.985 -7.198 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.256 -6.461 -4.805 1.00 0.00 C ATOM 0 H LEU A 35 2.413 -5.933 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 35 4.112 -5.025 -4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.568 -5.695 -7.732 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.803 -4.706 -6.978 1.00 0.00 H new ATOM 0 HG LEU A 35 4.999 -7.531 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.377 -7.877 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.436 -7.146 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.524 -6.136 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.731 -7.373 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.990 -5.656 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.440 -6.186 -4.137 1.00 0.00 H new ATOM 293 N GLN A 36 3.701 -2.783 -7.287 1.00 0.00 N ATOM 294 CA GLN A 36 3.756 -1.350 -7.590 1.00 0.00 C ATOM 295 C GLN A 36 2.964 -0.470 -6.570 1.00 0.00 C ATOM 296 O GLN A 36 3.530 0.544 -6.186 1.00 0.00 O ATOM 297 CB GLN A 36 3.389 -1.205 -9.085 1.00 0.00 C ATOM 298 CG GLN A 36 3.806 0.129 -9.752 1.00 0.00 C ATOM 299 CD GLN A 36 3.293 1.438 -9.148 1.00 0.00 C ATOM 300 OE1 GLN A 36 2.008 1.612 -9.034 1.00 0.00 O flip ATOM 301 NE2 GLN A 36 4.051 2.327 -8.775 1.00 0.00 N flip ATOM 0 H GLN A 36 3.321 -3.357 -8.040 1.00 0.00 H new ATOM 0 HA GLN A 36 4.756 -0.939 -7.452 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.851 -2.025 -9.635 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.310 -1.320 -9.188 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.895 0.171 -9.758 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.483 0.095 -10.792 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.060 2.205 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.672 3.189 -8.382 1.00 0.00 H new ATOM 302 N ILE A 37 1.779 -0.856 -6.044 1.00 0.00 N ATOM 303 CA ILE A 37 1.168 -0.163 -4.872 1.00 0.00 C ATOM 304 C ILE A 37 1.909 -0.368 -3.508 1.00 0.00 C ATOM 305 O ILE A 37 1.773 0.505 -2.694 1.00 0.00 O ATOM 306 CB ILE A 37 -0.363 -0.514 -4.795 1.00 0.00 C ATOM 307 CG1 ILE A 37 -1.312 0.673 -4.471 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.636 -1.751 -3.908 1.00 0.00 C ATOM 309 CD1 ILE A 37 -1.542 1.024 -2.993 1.00 0.00 C ATOM 0 H ILE A 37 1.227 -1.635 -6.404 1.00 0.00 H new ATOM 0 HA ILE A 37 1.287 0.906 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.624 -0.776 -5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.921 1.560 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.282 0.458 -4.919 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.707 -1.954 -3.886 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.112 -2.615 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.282 -1.558 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.225 1.871 -2.922 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.974 0.166 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.591 1.285 -2.529 1.00 0.00 H new ATOM 310 N VAL A 38 2.537 -1.507 -3.207 1.00 0.00 N ATOM 311 CA VAL A 38 3.310 -1.853 -1.957 1.00 0.00 C ATOM 312 C VAL A 38 4.716 -1.166 -1.898 1.00 0.00 C ATOM 313 O VAL A 38 5.080 -0.550 -0.896 1.00 0.00 O ATOM 314 CB VAL A 38 3.514 -3.411 -2.000 1.00 0.00 C ATOM 315 CG1 VAL A 38 4.707 -4.185 -1.373 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.223 -4.149 -1.635 1.00 0.00 C ATOM 0 H VAL A 38 2.533 -2.287 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 38 2.759 -1.507 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 38 3.834 -3.428 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.586 -5.252 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.639 -3.843 -1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.734 -4.003 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.395 -5.225 -1.673 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.915 -3.867 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.439 -3.882 -2.343 1.00 0.00 H new ATOM 317 N GLN A 39 5.501 -1.277 -2.996 1.00 0.00 N ATOM 318 CA GLN A 39 6.523 -0.280 -3.401 1.00 0.00 C ATOM 319 C GLN A 39 6.009 1.181 -3.263 1.00 0.00 C ATOM 320 O GLN A 39 6.583 1.893 -2.442 1.00 0.00 O ATOM 321 CB GLN A 39 6.972 -0.628 -4.853 1.00 0.00 C ATOM 322 CG GLN A 39 7.873 -1.872 -5.036 1.00 0.00 C ATOM 323 CD GLN A 39 8.238 -2.242 -6.474 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.074 -3.372 -6.919 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.787 -1.337 -7.240 1.00 0.00 N ATOM 0 H GLN A 39 5.442 -2.071 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 39 7.382 -0.332 -2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.077 -0.767 -5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.501 0.235 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.796 -1.710 -4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.373 -2.726 -4.580 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.932 -0.391 -6.888 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.071 -1.577 -8.190 1.00 0.00 H new ATOM 326 N ASP A 40 4.865 1.560 -3.885 1.00 0.00 N ATOM 327 CA ASP A 40 4.060 2.748 -3.465 1.00 0.00 C ATOM 328 C ASP A 40 3.858 2.992 -1.951 1.00 0.00 C ATOM 329 O ASP A 40 4.097 4.086 -1.429 1.00 0.00 O ATOM 330 CB ASP A 40 2.796 3.023 -4.321 1.00 0.00 C ATOM 331 CG ASP A 40 2.606 4.458 -4.782 1.00 0.00 C ATOM 332 OD1 ASP A 40 2.970 5.444 -4.150 1.00 0.00 O ATOM 333 OD2 ASP A 40 1.980 4.522 -5.987 1.00 0.00 O ATOM 0 H ASP A 40 4.473 1.061 -4.684 1.00 0.00 H new ATOM 0 HA ASP A 40 4.763 3.542 -3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.830 2.381 -5.201 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.919 2.728 -3.745 1.00 0.00 H new ATOM 334 N ALA A 41 3.440 1.936 -1.261 1.00 0.00 N ATOM 335 CA ALA A 41 2.782 2.061 0.044 1.00 0.00 C ATOM 336 C ALA A 41 3.680 2.100 1.304 1.00 0.00 C ATOM 337 O ALA A 41 3.259 2.622 2.331 1.00 0.00 O ATOM 338 CB ALA A 41 1.580 1.107 0.028 1.00 0.00 C ATOM 0 H ALA A 41 3.545 0.974 -1.584 1.00 0.00 H new ATOM 0 HA ALA A 41 2.415 3.079 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.057 1.165 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.901 1.391 -0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.927 0.087 -0.134 1.00 0.00 H new ATOM 566 N PRO B 5 -8.770 -16.584 -0.007 1.00 0.00 N ATOM 567 CA PRO B 5 -7.694 -17.226 -0.804 1.00 0.00 C ATOM 568 C PRO B 5 -6.257 -16.610 -0.686 1.00 0.00 C ATOM 569 O PRO B 5 -6.028 -15.469 -0.251 1.00 0.00 O ATOM 570 CB PRO B 5 -8.272 -17.079 -2.228 1.00 0.00 C ATOM 571 CG PRO B 5 -8.992 -15.739 -2.140 1.00 0.00 C ATOM 572 CD PRO B 5 -9.735 -15.834 -0.832 1.00 0.00 C ATOM 0 HA PRO B 5 -7.493 -18.241 -0.462 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -7.490 -17.073 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -8.953 -17.893 -2.478 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -8.291 -14.904 -2.146 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -9.671 -15.591 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -9.958 -14.853 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.684 -16.360 -0.935 1.00 0.00 H new ATOM 573 N HIS B 6 -5.324 -17.434 -1.173 1.00 0.00 N ATOM 574 CA HIS B 6 -3.914 -17.058 -1.407 1.00 0.00 C ATOM 575 C HIS B 6 -3.686 -16.448 -2.835 1.00 0.00 C ATOM 576 O HIS B 6 -4.296 -16.881 -3.821 1.00 0.00 O ATOM 577 CB HIS B 6 -3.045 -18.350 -1.281 1.00 0.00 C ATOM 578 CG HIS B 6 -2.968 -19.041 0.080 1.00 0.00 C ATOM 579 ND1 HIS B 6 -3.958 -19.874 0.578 1.00 0.00 N ATOM 580 CD2 HIS B 6 -1.950 -18.865 1.026 1.00 0.00 C ATOM 581 CE1 HIS B 6 -3.448 -20.097 1.832 1.00 0.00 C ATOM 582 NE2 HIS B 6 -2.215 -19.605 2.165 1.00 0.00 N ATOM 0 H HIS B 6 -5.525 -18.402 -1.423 1.00 0.00 H new ATOM 0 HA HIS B 6 -3.638 -16.300 -0.673 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -3.422 -19.076 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -2.029 -18.098 -1.584 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -1.081 -18.240 0.886 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -4.019 -20.660 2.556 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -1.655 -19.743 3.006 1.00 0.00 H new ATOM 583 N PHE B 7 -2.664 -15.596 -3.012 1.00 0.00 N ATOM 584 CA PHE B 7 -1.708 -15.803 -4.136 1.00 0.00 C ATOM 585 C PHE B 7 -0.216 -15.744 -3.658 1.00 0.00 C ATOM 586 O PHE B 7 0.143 -15.154 -2.631 1.00 0.00 O ATOM 587 CB PHE B 7 -2.065 -14.901 -5.354 1.00 0.00 C ATOM 588 CG PHE B 7 -1.572 -13.452 -5.310 1.00 0.00 C ATOM 589 CD1 PHE B 7 -2.327 -12.459 -4.678 1.00 0.00 C ATOM 590 CD2 PHE B 7 -0.326 -13.118 -5.858 1.00 0.00 C ATOM 591 CE1 PHE B 7 -1.872 -11.154 -4.646 1.00 0.00 C ATOM 592 CE2 PHE B 7 0.140 -11.819 -5.779 1.00 0.00 C ATOM 593 CZ PHE B 7 -0.666 -10.826 -5.255 1.00 0.00 C ATOM 0 H PHE B 7 -2.473 -14.785 -2.423 1.00 0.00 H new ATOM 0 HA PHE B 7 -1.817 -16.821 -4.509 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -1.663 -15.369 -6.252 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.150 -14.887 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -3.268 -12.712 -4.213 1.00 0.00 H new ATOM 0 HD2 PHE B 7 0.271 -13.877 -6.343 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -2.452 -10.391 -4.149 1.00 0.00 H new ATOM 0 HE2 PHE B 7 1.134 -11.580 -6.127 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.358 -9.793 -5.319 1.00 0.00 H new ATOM 594 N ASN B 8 0.675 -16.322 -4.472 1.00 0.00 N ATOM 595 CA ASN B 8 2.144 -16.166 -4.318 1.00 0.00 C ATOM 596 C ASN B 8 2.666 -14.708 -4.559 1.00 0.00 C ATOM 597 O ASN B 8 3.076 -14.362 -5.672 1.00 0.00 O ATOM 598 CB ASN B 8 2.822 -17.285 -5.162 1.00 0.00 C ATOM 599 CG ASN B 8 2.625 -17.264 -6.685 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.518 -17.400 -7.195 1.00 0.00 O ATOM 601 ND2 ASN B 8 3.664 -17.112 -7.462 1.00 0.00 N ATOM 0 H ASN B 8 0.408 -16.913 -5.259 1.00 0.00 H new ATOM 0 HA ASN B 8 2.431 -16.305 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.893 -17.249 -4.964 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.462 -18.245 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN B 8 3.547 -17.108 -8.475 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.592 -16.998 -7.055 1.00 0.00 H new ATOM 602 N PHE B 9 2.694 -13.840 -3.520 1.00 0.00 N ATOM 603 CA PHE B 9 3.558 -12.656 -3.534 1.00 0.00 C ATOM 604 C PHE B 9 5.018 -13.047 -3.166 1.00 0.00 C ATOM 605 O PHE B 9 5.408 -14.215 -3.052 1.00 0.00 O ATOM 606 CB PHE B 9 2.812 -11.584 -2.692 1.00 0.00 C ATOM 607 CG PHE B 9 3.114 -10.140 -3.100 1.00 0.00 C ATOM 608 CD1 PHE B 9 3.081 -9.721 -4.443 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.157 -9.162 -2.103 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.122 -8.379 -4.760 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.257 -7.821 -2.421 1.00 0.00 C ATOM 612 CZ PHE B 9 3.150 -7.446 -3.739 1.00 0.00 C ATOM 0 H PHE B 9 2.132 -13.943 -2.675 1.00 0.00 H new ATOM 0 HA PHE B 9 3.720 -12.199 -4.510 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.739 -11.756 -2.775 1.00 0.00 H new ATOM 0 HB3 PHE B 9 3.075 -11.715 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE B 9 3.023 -10.456 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.111 -9.459 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.132 -8.061 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.416 -7.082 -1.649 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.086 -6.396 -3.984 1.00 0.00 H new ATOM 613 N ARG B 10 5.864 -12.039 -3.167 1.00 0.00 N ATOM 614 CA ARG B 10 7.328 -12.232 -3.179 1.00 0.00 C ATOM 615 C ARG B 10 7.993 -11.448 -2.033 1.00 0.00 C ATOM 616 O ARG B 10 7.706 -11.674 -0.861 1.00 0.00 O ATOM 617 CB ARG B 10 7.853 -12.204 -4.649 1.00 0.00 C ATOM 618 CG ARG B 10 7.400 -13.348 -5.569 1.00 0.00 C ATOM 619 CD ARG B 10 8.040 -13.224 -6.951 1.00 0.00 C ATOM 620 NE ARG B 10 7.209 -13.928 -7.961 1.00 0.00 N ATOM 621 CZ ARG B 10 7.180 -13.662 -9.260 1.00 0.00 C ATOM 622 NH1 ARG B 10 7.921 -12.770 -9.848 1.00 0.00 N ATOM 623 NH2 ARG B 10 6.350 -14.329 -9.979 1.00 0.00 N ATOM 0 H ARG B 10 5.575 -11.061 -3.160 1.00 0.00 H new ATOM 0 HA ARG B 10 7.666 -13.228 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG B 10 7.545 -11.262 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG B 10 8.943 -12.202 -4.620 1.00 0.00 H new ATOM 0 HG2 ARG B 10 7.669 -14.306 -5.124 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.314 -13.335 -5.664 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.142 -12.173 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG B 10 9.044 -13.648 -6.935 1.00 0.00 H new ATOM 0 HE ARG B 10 6.608 -14.682 -7.626 1.00 0.00 H new ATOM 0 HH11 ARG B 10 8.583 -12.217 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG B 10 7.841 -12.623 -10.854 1.00 0.00 H new ATOM 0 HH21 ARG B 10 5.748 -15.029 -9.546 1.00 0.00 H new ATOM 0 HH22 ARG B 10 6.293 -14.158 -10.983 1.00 0.00 H new ATOM 624 N MET B 11 9.094 -10.781 -2.263 1.00 0.00 N ATOM 625 CA MET B 11 9.128 -9.630 -3.221 1.00 0.00 C ATOM 626 C MET B 11 10.520 -9.563 -3.963 1.00 0.00 C ATOM 627 O MET B 11 11.486 -10.213 -3.536 1.00 0.00 O ATOM 628 CB MET B 11 8.787 -8.282 -2.524 1.00 0.00 C ATOM 629 CG MET B 11 7.662 -8.149 -1.460 1.00 0.00 C ATOM 630 SD MET B 11 6.171 -9.054 -1.878 1.00 0.00 S ATOM 631 CE MET B 11 5.566 -9.531 -0.235 1.00 0.00 C ATOM 0 H MET B 11 9.989 -10.988 -1.820 1.00 0.00 H new ATOM 0 HA MET B 11 8.354 -9.800 -3.969 1.00 0.00 H new ATOM 0 HB2 MET B 11 9.706 -7.936 -2.050 1.00 0.00 H new ATOM 0 HB3 MET B 11 8.550 -7.573 -3.317 1.00 0.00 H new ATOM 0 HG2 MET B 11 8.037 -8.505 -0.500 1.00 0.00 H new ATOM 0 HG3 MET B 11 7.414 -7.095 -1.334 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.877 -10.370 -0.331 1.00 0.00 H new ATOM 0 HE2 MET B 11 6.408 -9.823 0.392 1.00 0.00 H new ATOM 0 HE3 MET B 11 5.049 -8.687 0.221 1.00 0.00 H new ATOM 632 N PRO B 12 10.753 -8.717 -5.016 1.00 0.00 N ATOM 633 CA PRO B 12 12.091 -8.115 -5.277 1.00 0.00 C ATOM 634 C PRO B 12 12.768 -7.538 -3.998 1.00 0.00 C ATOM 635 O PRO B 12 12.102 -6.920 -3.154 1.00 0.00 O ATOM 636 CB PRO B 12 11.784 -7.059 -6.353 1.00 0.00 C ATOM 637 CG PRO B 12 10.516 -7.569 -7.040 1.00 0.00 C ATOM 638 CD PRO B 12 9.709 -8.212 -5.913 1.00 0.00 C ATOM 0 HA PRO B 12 12.831 -8.844 -5.608 1.00 0.00 H new ATOM 0 HB2 PRO B 12 11.627 -6.075 -5.910 1.00 0.00 H new ATOM 0 HB3 PRO B 12 12.607 -6.963 -7.061 1.00 0.00 H new ATOM 0 HG2 PRO B 12 9.964 -6.756 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO B 12 10.750 -8.290 -7.823 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.062 -7.490 -5.415 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.068 -9.014 -6.280 1.00 0.00 H new ATOM 639 N MET B 13 14.046 -7.875 -3.780 1.00 0.00 N ATOM 640 CA MET B 13 14.598 -7.879 -2.396 1.00 0.00 C ATOM 641 C MET B 13 14.585 -6.534 -1.591 1.00 0.00 C ATOM 642 O MET B 13 14.432 -6.571 -0.374 1.00 0.00 O ATOM 643 CB MET B 13 15.962 -8.602 -2.409 1.00 0.00 C ATOM 644 CG MET B 13 16.540 -8.903 -1.011 1.00 0.00 C ATOM 645 SD MET B 13 15.310 -9.490 0.193 1.00 0.00 S ATOM 646 CE MET B 13 14.623 -10.980 -0.560 1.00 0.00 C ATOM 0 H MET B 13 14.707 -8.142 -4.509 1.00 0.00 H new ATOM 0 HA MET B 13 13.881 -8.437 -1.794 1.00 0.00 H new ATOM 0 HB2 MET B 13 15.857 -9.540 -2.954 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.677 -7.992 -2.960 1.00 0.00 H new ATOM 0 HG2 MET B 13 17.324 -9.654 -1.108 1.00 0.00 H new ATOM 0 HG3 MET B 13 17.010 -8.000 -0.622 1.00 0.00 H new ATOM 0 HE1 MET B 13 13.867 -11.406 0.100 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.168 -10.727 -1.518 1.00 0.00 H new ATOM 0 HE3 MET B 13 15.419 -11.708 -0.718 1.00 0.00 H new ATOM 647 N GLU B 14 14.620 -5.366 -2.247 1.00 0.00 N ATOM 648 CA GLU B 14 14.229 -4.081 -1.604 1.00 0.00 C ATOM 649 C GLU B 14 12.787 -3.998 -1.001 1.00 0.00 C ATOM 650 O GLU B 14 12.672 -3.648 0.166 1.00 0.00 O ATOM 651 CB GLU B 14 14.625 -2.870 -2.495 1.00 0.00 C ATOM 652 CG GLU B 14 13.754 -2.607 -3.756 1.00 0.00 C ATOM 653 CD GLU B 14 14.233 -1.448 -4.622 1.00 0.00 C ATOM 654 OE1 GLU B 14 13.806 -0.240 -4.155 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.919 -1.601 -5.628 1.00 0.00 O ATOM 0 H GLU B 14 14.913 -5.273 -3.220 1.00 0.00 H new ATOM 0 HA GLU B 14 14.824 -4.035 -0.692 1.00 0.00 H new ATOM 0 HB2 GLU B 14 14.605 -1.973 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU B 14 15.656 -3.010 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU B 14 13.732 -3.513 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU B 14 12.730 -2.409 -3.440 1.00 0.00 H new ATOM 656 N VAL B 15 11.713 -4.363 -1.721 1.00 0.00 N ATOM 657 CA VAL B 15 10.325 -4.437 -1.166 1.00 0.00 C ATOM 658 C VAL B 15 10.141 -5.485 -0.049 1.00 0.00 C ATOM 659 O VAL B 15 9.443 -5.180 0.908 1.00 0.00 O ATOM 660 CB VAL B 15 9.242 -4.674 -2.279 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.010 -3.774 -2.080 1.00 0.00 C ATOM 662 CG2 VAL B 15 9.650 -4.653 -3.775 1.00 0.00 C ATOM 0 H VAL B 15 11.769 -4.618 -2.707 1.00 0.00 H new ATOM 0 HA VAL B 15 10.176 -3.454 -0.719 1.00 0.00 H new ATOM 0 HB VAL B 15 9.029 -5.728 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.285 -3.969 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.557 -3.986 -1.112 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.314 -2.728 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL B 15 8.772 -4.835 -4.394 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.073 -3.680 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.392 -5.429 -3.961 1.00 0.00 H new ATOM 663 N ARG B 16 10.682 -6.703 -0.156 1.00 0.00 N ATOM 664 CA ARG B 16 10.587 -7.666 0.961 1.00 0.00 C ATOM 665 C ARG B 16 11.588 -7.423 2.098 1.00 0.00 C ATOM 666 O ARG B 16 11.180 -7.641 3.227 1.00 0.00 O ATOM 667 CB ARG B 16 10.561 -9.158 0.574 1.00 0.00 C ATOM 668 CG ARG B 16 9.562 -9.907 1.494 1.00 0.00 C ATOM 669 CD ARG B 16 9.901 -11.366 1.667 1.00 0.00 C ATOM 670 NE ARG B 16 9.013 -11.946 2.701 1.00 0.00 N ATOM 671 CZ ARG B 16 9.059 -13.203 3.120 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.819 -14.122 2.603 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.295 -13.528 4.103 1.00 0.00 N ATOM 0 H ARG B 16 11.179 -7.045 -0.979 1.00 0.00 H new ATOM 0 HA ARG B 16 9.590 -7.441 1.340 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.267 -9.270 -0.470 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.557 -9.589 0.672 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.545 -9.425 2.472 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.558 -9.820 1.078 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.777 -11.896 0.723 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.945 -11.478 1.961 1.00 0.00 H new ATOM 0 HE ARG B 16 8.315 -11.333 3.122 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.434 -13.895 1.821 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.801 -15.070 2.979 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.686 -12.829 4.528 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.299 -14.485 4.457 1.00 0.00 H new ATOM 674 N GLU B 17 12.816 -6.915 1.920 1.00 0.00 N ATOM 675 CA GLU B 17 13.550 -6.376 3.092 1.00 0.00 C ATOM 676 C GLU B 17 12.871 -5.129 3.722 1.00 0.00 C ATOM 677 O GLU B 17 12.713 -5.093 4.931 1.00 0.00 O ATOM 678 CB GLU B 17 15.043 -6.198 2.781 1.00 0.00 C ATOM 679 CG GLU B 17 15.538 -4.880 2.133 1.00 0.00 C ATOM 680 CD GLU B 17 16.947 -4.932 1.554 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.899 -5.072 2.514 1.00 0.00 O ATOM 682 OE2 GLU B 17 17.200 -4.839 0.357 1.00 0.00 O ATOM 0 H GLU B 17 13.308 -6.862 1.028 1.00 0.00 H new ATOM 0 HA GLU B 17 13.495 -7.125 3.882 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.588 -6.327 3.716 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.339 -7.016 2.124 1.00 0.00 H new ATOM 0 HG2 GLU B 17 14.846 -4.602 1.338 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.499 -4.089 2.881 1.00 0.00 H new ATOM 683 N LYS B 18 12.398 -4.154 2.938 1.00 0.00 N ATOM 684 CA LYS B 18 11.621 -3.011 3.486 1.00 0.00 C ATOM 685 C LYS B 18 10.178 -3.297 4.021 1.00 0.00 C ATOM 686 O LYS B 18 9.817 -2.720 5.047 1.00 0.00 O ATOM 687 CB LYS B 18 11.995 -1.704 2.749 1.00 0.00 C ATOM 688 CG LYS B 18 11.186 -1.378 1.484 1.00 0.00 C ATOM 689 CD LYS B 18 11.950 -0.531 0.441 1.00 0.00 C ATOM 690 CE LYS B 18 11.196 -0.433 -0.895 1.00 0.00 C ATOM 691 NZ LYS B 18 11.947 0.401 -1.854 1.00 0.00 N ATOM 0 H LYS B 18 12.533 -4.123 1.927 1.00 0.00 H new ATOM 0 HA LYS B 18 11.940 -2.796 4.506 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.886 -0.875 3.448 1.00 0.00 H new ATOM 0 HB3 LYS B 18 13.049 -1.755 2.477 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.872 -2.312 1.017 1.00 0.00 H new ATOM 0 HG3 LYS B 18 10.280 -0.846 1.773 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.113 0.471 0.838 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.933 -0.969 0.270 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.048 -1.430 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.207 -0.006 -0.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.282 0.977 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.597 1.026 -1.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.492 -0.211 -2.494 1.00 0.00 H new ATOM 692 N LEU B 19 9.403 -4.240 3.455 1.00 0.00 N ATOM 693 CA LEU B 19 8.151 -4.765 4.072 1.00 0.00 C ATOM 694 C LEU B 19 8.393 -5.779 5.242 1.00 0.00 C ATOM 695 O LEU B 19 7.730 -5.694 6.276 1.00 0.00 O ATOM 696 CB LEU B 19 7.115 -5.107 2.944 1.00 0.00 C ATOM 697 CG LEU B 19 5.651 -4.696 3.265 1.00 0.00 C ATOM 698 CD1 LEU B 19 4.767 -4.702 2.016 1.00 0.00 C ATOM 699 CD2 LEU B 19 4.966 -5.565 4.320 1.00 0.00 C ATOM 0 H LEU B 19 9.620 -4.667 2.554 1.00 0.00 H new ATOM 0 HA LEU B 19 7.648 -3.992 4.653 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.424 -4.613 2.023 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.144 -6.180 2.755 1.00 0.00 H new ATOM 0 HG LEU B 19 5.752 -3.687 3.666 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.753 -4.409 2.287 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.165 -3.998 1.285 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.752 -5.703 1.585 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.949 -5.207 4.482 1.00 0.00 H new ATOM 0 HD22 LEU B 19 4.937 -6.599 3.977 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.523 -5.509 5.255 1.00 0.00 H new ATOM 700 N LYS B 20 9.368 -6.696 5.147 1.00 0.00 N ATOM 701 CA LYS B 20 9.680 -7.677 6.202 1.00 0.00 C ATOM 702 C LYS B 20 10.535 -7.112 7.382 1.00 0.00 C ATOM 703 O LYS B 20 10.331 -7.550 8.507 1.00 0.00 O ATOM 704 CB LYS B 20 10.349 -8.920 5.599 1.00 0.00 C ATOM 705 CG LYS B 20 10.290 -10.204 6.446 1.00 0.00 C ATOM 706 CD LYS B 20 11.066 -11.423 5.886 1.00 0.00 C ATOM 707 CE LYS B 20 12.158 -11.141 4.837 1.00 0.00 C ATOM 708 NZ LYS B 20 12.780 -12.401 4.392 1.00 0.00 N ATOM 0 H LYS B 20 9.969 -6.779 4.327 1.00 0.00 H new ATOM 0 HA LYS B 20 8.720 -7.947 6.642 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.885 -9.125 4.634 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.396 -8.685 5.405 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.676 -9.978 7.440 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.245 -10.488 6.567 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.529 -11.943 6.725 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.344 -12.110 5.445 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.725 -10.620 3.983 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.917 -10.483 5.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.514 -12.195 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 13.210 -12.883 5.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 12.055 -13.016 3.969 1.00 0.00 H new ATOM 709 N PHE B 21 11.459 -6.145 7.174 1.00 0.00 N ATOM 710 CA PHE B 21 11.905 -5.209 8.246 1.00 0.00 C ATOM 711 C PHE B 21 10.716 -4.393 8.754 1.00 0.00 C ATOM 712 O PHE B 21 10.312 -4.808 9.817 1.00 0.00 O ATOM 713 CB PHE B 21 13.100 -4.292 7.878 1.00 0.00 C ATOM 714 CG PHE B 21 14.468 -4.957 7.987 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.837 -5.975 7.107 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.370 -4.531 8.964 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.105 -6.531 7.167 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.641 -5.087 9.027 1.00 0.00 C ATOM 719 CZ PHE B 21 17.015 -6.086 8.126 1.00 0.00 C ATOM 0 H PHE B 21 11.914 -5.988 6.274 1.00 0.00 H new ATOM 0 HA PHE B 21 12.295 -5.844 9.042 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.965 -3.934 6.857 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.083 -3.417 8.528 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.129 -6.332 6.374 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.079 -3.768 9.671 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.388 -7.308 6.472 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.342 -4.746 9.775 1.00 0.00 H new ATOM 0 HZ PHE B 21 18.006 -6.513 8.171 1.00 0.00 H new ATOM 720 N ARG B 22 10.089 -3.376 8.129 1.00 0.00 N ATOM 721 CA ARG B 22 8.802 -2.783 8.638 1.00 0.00 C ATOM 722 C ARG B 22 7.910 -3.695 9.578 1.00 0.00 C ATOM 723 O ARG B 22 7.823 -3.398 10.766 1.00 0.00 O ATOM 724 CB ARG B 22 8.107 -2.112 7.450 1.00 0.00 C ATOM 725 CG ARG B 22 6.947 -1.214 7.930 1.00 0.00 C ATOM 726 CD ARG B 22 6.247 -0.568 6.753 1.00 0.00 C ATOM 727 NE ARG B 22 4.947 -0.058 7.241 1.00 0.00 N ATOM 728 CZ ARG B 22 4.439 1.147 7.026 1.00 0.00 C ATOM 729 NH1 ARG B 22 5.031 2.082 6.347 1.00 0.00 N ATOM 730 NH2 ARG B 22 3.273 1.385 7.515 1.00 0.00 N ATOM 0 H ARG B 22 10.437 -2.940 7.275 1.00 0.00 H new ATOM 0 HA ARG B 22 9.034 -2.022 9.384 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.828 -1.515 6.891 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.726 -2.873 6.769 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.234 -1.808 8.502 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.330 -0.444 8.599 1.00 0.00 H new ATOM 0 HD2 ARG B 22 6.850 0.244 6.345 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.100 -1.290 5.950 1.00 0.00 H new ATOM 0 HE ARG B 22 4.384 -0.699 7.800 1.00 0.00 H new ATOM 0 HH11 ARG B 22 5.950 1.911 5.938 1.00 0.00 H new ATOM 0 HH12 ARG B 22 4.577 2.987 6.223 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.783 0.661 8.041 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.839 2.298 7.377 1.00 0.00 H new ATOM 731 N ALA B 23 7.543 -4.910 9.130 1.00 0.00 N ATOM 732 CA ALA B 23 7.161 -6.053 10.007 1.00 0.00 C ATOM 733 C ALA B 23 8.104 -6.420 11.220 1.00 0.00 C ATOM 734 O ALA B 23 7.806 -6.053 12.358 1.00 0.00 O ATOM 735 CB ALA B 23 6.832 -7.189 9.013 1.00 0.00 C ATOM 0 H ALA B 23 7.500 -5.137 8.137 1.00 0.00 H new ATOM 0 HA ALA B 23 6.305 -5.785 10.627 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.537 -8.081 9.565 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.014 -6.878 8.363 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.712 -7.410 8.409 1.00 0.00 H new ATOM 736 N GLU B 24 9.212 -7.134 10.991 1.00 0.00 N ATOM 737 CA GLU B 24 10.174 -7.579 12.049 1.00 0.00 C ATOM 738 C GLU B 24 11.000 -6.494 12.833 1.00 0.00 C ATOM 739 O GLU B 24 11.267 -6.658 14.024 1.00 0.00 O ATOM 740 CB GLU B 24 11.102 -8.679 11.451 1.00 0.00 C ATOM 741 CG GLU B 24 10.450 -9.944 10.809 1.00 0.00 C ATOM 742 CD GLU B 24 9.328 -10.674 11.551 1.00 0.00 C ATOM 743 OE1 GLU B 24 9.623 -10.884 12.865 1.00 0.00 O ATOM 744 OE2 GLU B 24 8.293 -11.048 11.004 1.00 0.00 O ATOM 0 H GLU B 24 9.485 -7.432 10.055 1.00 0.00 H new ATOM 0 HA GLU B 24 9.531 -7.957 12.844 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.726 -8.208 10.692 1.00 0.00 H new ATOM 0 HB3 GLU B 24 11.767 -9.017 12.245 1.00 0.00 H new ATOM 0 HG2 GLU B 24 10.060 -9.651 9.834 1.00 0.00 H new ATOM 0 HG3 GLU B 24 11.246 -10.666 10.630 1.00 0.00 H new ATOM 745 N ALA B 25 11.380 -5.394 12.174 1.00 0.00 N ATOM 746 CA ALA B 25 11.649 -4.072 12.799 1.00 0.00 C ATOM 747 C ALA B 25 10.655 -3.580 13.922 1.00 0.00 C ATOM 748 O ALA B 25 11.105 -3.095 14.961 1.00 0.00 O ATOM 749 CB ALA B 25 11.607 -3.058 11.626 1.00 0.00 C ATOM 0 H ALA B 25 11.516 -5.387 11.163 1.00 0.00 H new ATOM 0 HA ALA B 25 12.599 -4.159 13.326 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.797 -2.054 12.006 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.370 -3.319 10.892 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.625 -3.088 11.154 1.00 0.00 H new ATOM 750 N ASN B 26 9.325 -3.655 13.680 1.00 0.00 N ATOM 751 CA ASN B 26 8.286 -3.098 14.598 1.00 0.00 C ATOM 752 C ASN B 26 7.600 -4.114 15.588 1.00 0.00 C ATOM 753 O ASN B 26 7.353 -3.772 16.746 1.00 0.00 O ATOM 754 CB ASN B 26 7.332 -2.252 13.687 1.00 0.00 C ATOM 755 CG ASN B 26 5.895 -2.704 13.461 1.00 0.00 C ATOM 756 OD1 ASN B 26 4.976 -2.388 14.205 1.00 0.00 O ATOM 757 ND2 ASN B 26 5.670 -3.417 12.402 1.00 0.00 N ATOM 0 H ASN B 26 8.937 -4.100 12.848 1.00 0.00 H new ATOM 0 HA ASN B 26 8.750 -2.463 15.353 1.00 0.00 H new ATOM 0 HB2 ASN B 26 7.293 -1.246 14.104 1.00 0.00 H new ATOM 0 HB3 ASN B 26 7.805 -2.173 12.708 1.00 0.00 H new ATOM 0 HD21 ASN B 26 4.721 -3.719 12.183 1.00 0.00 H new ATOM 0 HD22 ASN B 26 6.442 -3.676 11.788 1.00 0.00 H new ATOM 758 N GLY B 27 7.211 -5.305 15.105 1.00 0.00 N ATOM 759 CA GLY B 27 6.185 -6.172 15.768 1.00 0.00 C ATOM 760 C GLY B 27 4.918 -6.594 14.965 1.00 0.00 C ATOM 761 O GLY B 27 3.977 -7.114 15.565 1.00 0.00 O ATOM 0 H GLY B 27 7.589 -5.706 14.247 1.00 0.00 H new ATOM 0 HA2 GLY B 27 6.686 -7.083 16.094 1.00 0.00 H new ATOM 0 HA3 GLY B 27 5.848 -5.654 16.666 1.00 0.00 H new ATOM 762 N ARG B 28 4.878 -6.423 13.636 1.00 0.00 N ATOM 763 CA ARG B 28 3.849 -7.028 12.741 1.00 0.00 C ATOM 764 C ARG B 28 4.643 -8.123 11.934 1.00 0.00 C ATOM 765 O ARG B 28 5.872 -8.106 11.842 1.00 0.00 O ATOM 766 CB ARG B 28 3.143 -5.851 11.992 1.00 0.00 C ATOM 767 CG ARG B 28 2.459 -4.756 12.881 1.00 0.00 C ATOM 768 CD ARG B 28 1.696 -3.594 12.194 1.00 0.00 C ATOM 769 NE ARG B 28 2.467 -2.818 11.190 1.00 0.00 N ATOM 770 CZ ARG B 28 2.959 -1.592 11.342 1.00 0.00 C ATOM 771 NH1 ARG B 28 2.910 -0.910 12.443 1.00 0.00 N ATOM 772 NH2 ARG B 28 3.538 -1.055 10.329 1.00 0.00 N ATOM 0 H ARG B 28 5.562 -5.856 13.135 1.00 0.00 H new ATOM 0 HA ARG B 28 3.005 -7.555 13.186 1.00 0.00 H new ATOM 0 HB2 ARG B 28 3.881 -5.361 11.357 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.386 -6.274 11.332 1.00 0.00 H new ATOM 0 HG2 ARG B 28 1.758 -5.262 13.544 1.00 0.00 H new ATOM 0 HG3 ARG B 28 3.231 -4.315 13.511 1.00 0.00 H new ATOM 0 HD2 ARG B 28 0.811 -4.004 11.707 1.00 0.00 H new ATOM 0 HD3 ARG B 28 1.347 -2.908 12.965 1.00 0.00 H new ATOM 0 HE ARG B 28 2.637 -3.272 10.292 1.00 0.00 H new ATOM 0 HH11 ARG B 28 2.470 -1.310 13.272 1.00 0.00 H new ATOM 0 HH12 ARG B 28 3.311 0.027 12.481 1.00 0.00 H new ATOM 0 HH21 ARG B 28 3.607 -1.568 9.450 1.00 0.00 H new ATOM 0 HH22 ARG B 28 3.929 -0.116 10.404 1.00 0.00 H new ATOM 773 N SER B 29 4.013 -9.177 11.424 1.00 0.00 N ATOM 774 CA SER B 29 4.760 -10.350 10.848 1.00 0.00 C ATOM 775 C SER B 29 4.152 -10.599 9.461 1.00 0.00 C ATOM 776 O SER B 29 2.951 -10.831 9.402 1.00 0.00 O ATOM 777 CB SER B 29 4.716 -11.561 11.811 1.00 0.00 C ATOM 778 OG SER B 29 3.389 -12.010 12.097 1.00 0.00 O ATOM 0 H SER B 29 2.998 -9.267 11.386 1.00 0.00 H new ATOM 0 HA SER B 29 5.827 -10.158 10.731 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.284 -12.383 11.376 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.210 -11.292 12.745 1.00 0.00 H new ATOM 0 HG SER B 29 2.758 -11.273 11.962 1.00 0.00 H new ATOM 779 N MET B 30 4.868 -10.380 8.345 1.00 0.00 N ATOM 780 CA MET B 30 4.278 -9.662 7.171 1.00 0.00 C ATOM 781 C MET B 30 2.863 -10.082 6.668 1.00 0.00 C ATOM 782 O MET B 30 2.088 -9.205 6.351 1.00 0.00 O ATOM 783 CB MET B 30 5.150 -9.738 5.918 1.00 0.00 C ATOM 784 CG MET B 30 6.496 -9.079 5.914 1.00 0.00 C ATOM 785 SD MET B 30 7.406 -9.815 4.548 1.00 0.00 S ATOM 786 CE MET B 30 7.198 -8.496 3.362 1.00 0.00 C ATOM 0 H MET B 30 5.836 -10.677 8.218 1.00 0.00 H new ATOM 0 HA MET B 30 4.207 -8.670 7.616 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.302 -10.793 5.690 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.576 -9.313 5.094 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.402 -8.001 5.784 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.013 -9.242 6.860 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.911 -8.916 2.398 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.420 -7.815 3.708 1.00 0.00 H new ATOM 0 HE3 MET B 30 8.136 -7.951 3.255 1.00 0.00 H new ATOM 787 N ASN B 31 2.411 -11.336 6.613 1.00 0.00 N ATOM 788 CA ASN B 31 0.945 -11.591 6.450 1.00 0.00 C ATOM 789 C ASN B 31 -0.006 -10.763 7.432 1.00 0.00 C ATOM 790 O ASN B 31 -0.908 -10.085 6.947 1.00 0.00 O ATOM 791 CB ASN B 31 0.673 -13.115 6.372 1.00 0.00 C ATOM 792 CG ASN B 31 -0.371 -13.511 5.332 1.00 0.00 C ATOM 793 OD1 ASN B 31 -0.101 -14.255 4.401 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.553 -12.964 5.392 1.00 0.00 N ATOM 0 H ASN B 31 2.995 -12.170 6.674 1.00 0.00 H new ATOM 0 HA ASN B 31 0.647 -11.170 5.490 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.608 -13.629 6.146 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.345 -13.465 7.351 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.242 -13.159 4.666 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.788 -12.342 6.165 1.00 0.00 H new ATOM 795 N SER B 32 0.331 -10.644 8.733 1.00 0.00 N ATOM 796 CA SER B 32 0.054 -9.411 9.551 1.00 0.00 C ATOM 797 C SER B 32 0.581 -8.028 9.033 1.00 0.00 C ATOM 798 O SER B 32 -0.267 -7.189 8.724 1.00 0.00 O ATOM 799 CB SER B 32 0.164 -9.678 11.070 1.00 0.00 C ATOM 800 OG SER B 32 1.429 -10.167 11.479 1.00 0.00 O ATOM 0 H SER B 32 0.799 -11.384 9.256 1.00 0.00 H new ATOM 0 HA SER B 32 -1.001 -9.215 9.357 1.00 0.00 H new ATOM 0 HB2 SER B 32 -0.048 -8.754 11.607 1.00 0.00 H new ATOM 0 HB3 SER B 32 -0.603 -10.397 11.359 1.00 0.00 H new ATOM 0 HG SER B 32 1.966 -10.387 10.689 1.00 0.00 H new ATOM 801 N GLU B 33 1.885 -7.719 8.881 1.00 0.00 N ATOM 802 CA GLU B 33 2.293 -6.333 8.437 1.00 0.00 C ATOM 803 C GLU B 33 1.954 -5.837 7.009 1.00 0.00 C ATOM 804 O GLU B 33 1.456 -4.729 6.841 1.00 0.00 O ATOM 805 CB GLU B 33 3.802 -6.100 8.526 1.00 0.00 C ATOM 806 CG GLU B 33 4.160 -4.613 8.782 1.00 0.00 C ATOM 807 CD GLU B 33 4.431 -3.672 7.618 1.00 0.00 C ATOM 808 OE1 GLU B 33 5.310 -3.845 6.784 1.00 0.00 O ATOM 809 OE2 GLU B 33 3.662 -2.554 7.683 1.00 0.00 O ATOM 0 H GLU B 33 2.657 -8.365 9.046 1.00 0.00 H new ATOM 0 HA GLU B 33 1.675 -5.781 9.145 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.214 -6.713 9.328 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.272 -6.429 7.599 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.344 -4.181 9.361 1.00 0.00 H new ATOM 0 HG3 GLU B 33 5.045 -4.600 9.419 1.00 0.00 H new ATOM 810 N LEU B 34 2.279 -6.641 5.980 1.00 0.00 N ATOM 811 CA LEU B 34 1.681 -6.560 4.634 1.00 0.00 C ATOM 812 C LEU B 34 0.153 -6.334 4.807 1.00 0.00 C ATOM 813 O LEU B 34 -0.260 -5.276 4.373 1.00 0.00 O ATOM 814 CB LEU B 34 2.090 -7.809 3.791 1.00 0.00 C ATOM 815 CG LEU B 34 2.558 -7.706 2.312 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.365 -9.014 1.529 1.00 0.00 C ATOM 817 CD2 LEU B 34 1.954 -6.611 1.413 1.00 0.00 C ATOM 0 H LEU B 34 2.978 -7.379 6.062 1.00 0.00 H new ATOM 0 HA LEU B 34 2.057 -5.715 4.058 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.893 -8.304 4.338 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.234 -8.484 3.800 1.00 0.00 H new ATOM 0 HG LEU B 34 3.600 -7.443 2.493 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.710 -8.879 0.504 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.939 -9.810 2.003 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.309 -9.282 1.524 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.388 -6.679 0.415 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.874 -6.747 1.349 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.172 -5.631 1.837 1.00 0.00 H new ATOM 818 N LEU B 35 -0.676 -7.136 5.545 1.00 0.00 N ATOM 819 CA LEU B 35 -2.111 -6.762 5.706 1.00 0.00 C ATOM 820 C LEU B 35 -2.406 -5.400 6.390 1.00 0.00 C ATOM 821 O LEU B 35 -3.309 -4.682 5.975 1.00 0.00 O ATOM 822 CB LEU B 35 -2.984 -7.858 6.359 1.00 0.00 C ATOM 823 CG LEU B 35 -3.497 -8.974 5.427 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.536 -9.789 6.198 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.218 -8.400 4.186 1.00 0.00 C ATOM 0 H LEU B 35 -0.393 -7.997 6.012 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.398 -6.648 4.661 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.408 -8.321 7.161 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.846 -7.377 6.822 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.640 -9.566 5.105 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.917 -10.588 5.562 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -4.074 -10.221 7.085 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.359 -9.140 6.497 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.564 -9.219 3.555 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.072 -7.802 4.505 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.527 -7.774 3.621 1.00 0.00 H new ATOM 826 N GLN B 36 -1.658 -5.052 7.427 1.00 0.00 N ATOM 827 CA GLN B 36 -1.791 -3.737 8.110 1.00 0.00 C ATOM 828 C GLN B 36 -1.366 -2.510 7.260 1.00 0.00 C ATOM 829 O GLN B 36 -2.147 -1.560 7.173 1.00 0.00 O ATOM 830 CB GLN B 36 -1.064 -3.794 9.484 1.00 0.00 C ATOM 831 CG GLN B 36 -1.940 -4.261 10.674 1.00 0.00 C ATOM 832 CD GLN B 36 -2.221 -5.758 10.773 1.00 0.00 C ATOM 833 OE1 GLN B 36 -1.708 -6.482 11.617 1.00 0.00 O ATOM 834 NE2 GLN B 36 -3.030 -6.274 9.891 1.00 0.00 N ATOM 0 H GLN B 36 -0.942 -5.656 7.830 1.00 0.00 H new ATOM 0 HA GLN B 36 -2.856 -3.570 8.268 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -0.209 -4.465 9.397 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.670 -2.803 9.710 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -1.456 -3.944 11.598 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -2.895 -3.739 10.619 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -3.462 -5.678 9.185 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -3.232 -7.274 9.907 1.00 0.00 H new ATOM 835 N ILE B 37 -0.217 -2.530 6.562 1.00 0.00 N ATOM 836 CA ILE B 37 0.027 -1.572 5.451 1.00 0.00 C ATOM 837 C ILE B 37 -0.936 -1.680 4.227 1.00 0.00 C ATOM 838 O ILE B 37 -1.016 -0.680 3.554 1.00 0.00 O ATOM 839 CB ILE B 37 1.527 -1.602 4.987 1.00 0.00 C ATOM 840 CG1 ILE B 37 1.992 -0.230 4.447 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.771 -2.676 3.905 1.00 0.00 C ATOM 842 CD1 ILE B 37 3.462 -0.162 4.021 1.00 0.00 C ATOM 0 H ILE B 37 0.548 -3.182 6.736 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.204 -0.602 5.891 1.00 0.00 H new ATOM 0 HB ILE B 37 2.110 -1.850 5.874 1.00 0.00 H new ATOM 0 HG12 ILE B 37 1.370 0.036 3.593 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.818 0.523 5.215 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.821 -2.664 3.611 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.517 -3.658 4.303 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.148 -2.465 3.036 1.00 0.00 H new ATOM 0 HD11 ILE B 37 3.689 0.840 3.657 1.00 0.00 H new ATOM 0 HD12 ILE B 37 4.099 -0.392 4.875 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.645 -0.886 3.227 1.00 0.00 H new ATOM 843 N VAL B 38 -1.495 -2.844 3.866 1.00 0.00 N ATOM 844 CA VAL B 38 -2.299 -3.110 2.631 1.00 0.00 C ATOM 845 C VAL B 38 -3.804 -2.707 2.791 1.00 0.00 C ATOM 846 O VAL B 38 -4.401 -2.097 1.910 1.00 0.00 O ATOM 847 CB VAL B 38 -2.202 -4.628 2.297 1.00 0.00 C ATOM 848 CG1 VAL B 38 -3.336 -5.367 1.580 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.865 -4.978 1.634 1.00 0.00 C ATOM 0 H VAL B 38 -1.403 -3.677 4.447 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.890 -2.500 1.826 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.305 -5.018 3.310 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -3.062 -6.413 1.447 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -4.246 -5.303 2.177 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.509 -4.911 0.605 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.835 -6.046 1.416 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.761 -4.415 0.706 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -0.047 -4.722 2.307 1.00 0.00 H new ATOM 850 N GLN B 39 -4.430 -3.092 3.917 1.00 0.00 N ATOM 851 CA GLN B 39 -5.641 -2.420 4.454 1.00 0.00 C ATOM 852 C GLN B 39 -5.410 -0.888 4.722 1.00 0.00 C ATOM 853 O GLN B 39 -6.245 -0.080 4.308 1.00 0.00 O ATOM 854 CB GLN B 39 -6.086 -3.236 5.705 1.00 0.00 C ATOM 855 CG GLN B 39 -6.431 -4.734 5.474 1.00 0.00 C ATOM 856 CD GLN B 39 -6.951 -5.510 6.680 1.00 0.00 C ATOM 857 OE1 GLN B 39 -8.078 -5.987 6.715 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.140 -5.684 7.691 1.00 0.00 N ATOM 0 H GLN B 39 -4.115 -3.878 4.486 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.450 -2.418 3.723 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -5.291 -3.181 6.448 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.960 -2.748 6.137 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.179 -4.793 4.683 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.537 -5.236 5.106 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.200 -5.288 7.665 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -6.447 -6.216 8.505 1.00 0.00 H new ATOM 859 N ASP B 40 -4.222 -0.477 5.232 1.00 0.00 N ATOM 860 CA ASP B 40 -3.680 0.889 4.934 1.00 0.00 C ATOM 861 C ASP B 40 -3.552 1.358 3.431 1.00 0.00 C ATOM 862 O ASP B 40 -3.901 2.492 3.095 1.00 0.00 O ATOM 863 CB ASP B 40 -2.563 1.337 5.901 1.00 0.00 C ATOM 864 CG ASP B 40 -3.024 1.704 7.314 1.00 0.00 C ATOM 865 OD1 ASP B 40 -3.096 0.634 8.151 1.00 0.00 O ATOM 866 OD2 ASP B 40 -3.299 2.850 7.641 1.00 0.00 O ATOM 0 H ASP B 40 -3.629 -1.047 5.835 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.538 1.516 5.179 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -1.827 0.537 5.974 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -2.055 2.199 5.468 1.00 0.00 H new ATOM 867 N ALA B 41 -3.106 0.482 2.530 1.00 0.00 N ATOM 868 CA ALA B 41 -2.840 0.789 1.093 1.00 0.00 C ATOM 869 C ALA B 41 -4.093 0.928 0.158 1.00 0.00 C ATOM 870 O ALA B 41 -4.048 1.511 -0.923 1.00 0.00 O ATOM 871 CB ALA B 41 -1.865 -0.299 0.601 1.00 0.00 C ATOM 0 H ALA B 41 -2.910 -0.490 2.769 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.420 1.793 1.035 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -1.630 -0.129 -0.450 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.948 -0.259 1.189 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.326 -1.280 0.716 1.00 0.00 H new ATOM 872 N LEU B 42 -5.212 0.362 0.593 1.00 0.00 N ATOM 873 CA LEU B 42 -6.554 0.534 -0.027 1.00 0.00 C ATOM 874 C LEU B 42 -7.423 1.638 0.655 1.00 0.00 C ATOM 875 O LEU B 42 -8.158 2.348 -0.035 1.00 0.00 O ATOM 876 CB LEU B 42 -7.244 -0.855 0.012 1.00 0.00 C ATOM 877 CG LEU B 42 -6.479 -1.984 -0.722 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.964 -3.349 -0.246 1.00 0.00 C ATOM 879 CD2 LEU B 42 -6.529 -1.816 -2.249 1.00 0.00 C ATOM 0 H LEU B 42 -5.230 -0.250 1.409 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.438 0.888 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -7.382 -1.147 1.053 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -8.237 -0.764 -0.428 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.423 -1.913 -0.463 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -6.417 -4.133 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.792 -3.442 0.826 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -8.029 -3.449 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.980 -2.630 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -7.566 -1.835 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -6.076 -0.864 -2.525 1.00 0.00 H new