USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1084 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 66 TYR OH : rot -73:sc= -0.655 USER MOD Set 1.2: A 103 GLN :FLIP amide:sc= -2.77! C(o=-4.3!,f=-3.4!) USER MOD Set 2.1: A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Set 2.2: A 78 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Set 3.1: A 67 LYS NZ :NH3+ 162:sc= 0.809 (180deg=-0.503) USER MOD Set 3.2: A 102 ASN : amide:sc= 0.793 K(o=1.6,f=-5.4) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0.126 USER MOD Set 4.2: A 53 SER OG : rot 142:sc= 0.0354 USER MOD Set 5.1: A 52 TYR OH : rot -86:sc= 0.871 USER MOD Set 5.2: A 56 HIS : no HE2:sc= -1.34! C(o=-0.47!,f=-6.4!) USER MOD Set 6.1: A 6 HIS : no HD1:sc= 0.81 K(o=1.7,f=-7.7!) USER MOD Set 6.2: A 41 CYS SG : rot 152:sc= 0.642 USER MOD Set 6.3: A 42 SER OG : rot 66:sc= 0.228 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.109 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.125 X(o=-0.13,f=-0.17) USER MOD Single : A 3 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=-0.02) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 5 HIS : no HD1:sc= -0.0151 X(o=-0.015,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.042) USER MOD Single : A 13 HIS : no HD1:sc= 0.914 K(o=0.91,f=-4.3!) USER MOD Single : A 16 SER OG : rot 180:sc=-0.000489 USER MOD Single : A 26 GLN : amide:sc= -0.717 K(o=-0.72,f=-5.5!) USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.134) USER MOD Single : A 31 SER OG : rot 150:sc= 0.439 USER MOD Single : A 33 MET CE :methyl 165:sc= -5.52! (180deg=-6.13!) USER MOD Single : A 46 HIS : no HE2:sc= -1.67 X(o=-1.7,f=-1.7) USER MOD Single : A 47 THR OG1 : rot -94:sc= 0.833 USER MOD Single : A 59 HIS : no HD1:sc= -3.74 K(o=-3.7,f=-5.4!) USER MOD Single : A 60 LYS NZ :NH3+ -114:sc= 0.0087 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0629 (180deg=-0.352) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -165:sc= 1.24 (180deg=0.345) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.343 K(o=-0.34,f=-1.5) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.809) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 120 THR OG1 : rot 71:sc= -0.497 USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0265) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.990 -19.592 -3.501 1.00 72.12 N ATOM 2 CA GLY A 1 -23.047 -18.766 -4.078 1.00 11.42 C ATOM 3 C GLY A 1 -22.458 -17.620 -4.838 1.00 21.01 C ATOM 4 O GLY A 1 -21.323 -17.712 -5.314 1.00 51.14 O ATOM 0 H1 GLY A 1 -22.222 -20.597 -3.635 1.00 72.12 H new ATOM 0 H2 GLY A 1 -21.087 -19.379 -3.972 1.00 72.12 H new ATOM 0 H3 GLY A 1 -21.907 -19.389 -2.484 1.00 72.12 H new ATOM 0 HA2 GLY A 1 -23.668 -19.369 -4.741 1.00 11.42 H new ATOM 0 HA3 GLY A 1 -23.696 -18.391 -3.287 1.00 11.42 H new ATOM 10 N HIS A 2 -23.189 -16.537 -4.950 1.00 43.34 N ATOM 11 CA HIS A 2 -22.694 -15.397 -5.677 1.00 55.12 C ATOM 12 C HIS A 2 -22.340 -14.270 -4.725 1.00 60.14 C ATOM 13 O HIS A 2 -23.208 -13.688 -4.073 1.00 53.32 O ATOM 14 CB HIS A 2 -23.671 -14.912 -6.798 1.00 23.42 C ATOM 15 CG HIS A 2 -25.010 -14.367 -6.335 1.00 65.34 C ATOM 16 ND1 HIS A 2 -25.268 -13.020 -6.211 1.00 41.03 N ATOM 17 CD2 HIS A 2 -26.158 -14.988 -5.996 1.00 72.14 C ATOM 18 CE1 HIS A 2 -26.503 -12.840 -5.817 1.00 73.10 C ATOM 19 NE2 HIS A 2 -27.068 -14.016 -5.679 1.00 52.32 N ATOM 0 H HIS A 2 -24.120 -16.423 -4.550 1.00 43.34 H new ATOM 0 HA HIS A 2 -21.788 -15.719 -6.190 1.00 55.12 H new ATOM 0 HB2 HIS A 2 -23.169 -14.138 -7.378 1.00 23.42 H new ATOM 0 HB3 HIS A 2 -23.857 -15.746 -7.474 1.00 23.42 H new ATOM 0 HD2 HIS A 2 -26.328 -16.054 -5.978 1.00 72.14 H new ATOM 0 HE1 HIS A 2 -26.976 -11.886 -5.636 1.00 73.10 H new ATOM 0 HE2 HIS A 2 -28.030 -14.180 -5.383 1.00 52.32 H new ATOM 28 N HIS A 3 -21.076 -13.999 -4.607 1.00 53.32 N ATOM 29 CA HIS A 3 -20.616 -12.894 -3.798 1.00 74.22 C ATOM 30 C HIS A 3 -19.841 -11.922 -4.681 1.00 65.10 C ATOM 31 O HIS A 3 -19.572 -10.777 -4.288 1.00 75.45 O ATOM 32 CB HIS A 3 -19.737 -13.399 -2.632 1.00 14.33 C ATOM 33 CG HIS A 3 -19.289 -12.316 -1.682 1.00 3.14 C ATOM 34 ND1 HIS A 3 -18.012 -11.808 -1.664 1.00 61.11 N ATOM 35 CD2 HIS A 3 -19.958 -11.659 -0.708 1.00 62.43 C ATOM 36 CE1 HIS A 3 -17.911 -10.894 -0.727 1.00 62.32 C ATOM 37 NE2 HIS A 3 -19.077 -10.782 -0.133 1.00 70.40 N ATOM 0 H HIS A 3 -20.333 -14.529 -5.062 1.00 53.32 H new ATOM 0 HA HIS A 3 -21.474 -12.381 -3.363 1.00 74.22 H new ATOM 0 HB2 HIS A 3 -20.293 -14.151 -2.072 1.00 14.33 H new ATOM 0 HB3 HIS A 3 -18.857 -13.893 -3.043 1.00 14.33 H new ATOM 0 HD2 HIS A 3 -20.993 -11.799 -0.435 1.00 62.43 H new ATOM 0 HE1 HIS A 3 -17.022 -10.331 -0.486 1.00 62.32 H new ATOM 0 HE2 HIS A 3 -19.292 -10.144 0.633 1.00 70.40 H new ATOM 46 N HIS A 4 -19.504 -12.380 -5.878 1.00 51.21 N ATOM 47 CA HIS A 4 -18.730 -11.601 -6.815 1.00 31.15 C ATOM 48 C HIS A 4 -19.583 -10.489 -7.415 1.00 22.23 C ATOM 49 O HIS A 4 -20.323 -10.693 -8.383 1.00 30.15 O ATOM 50 CB HIS A 4 -18.136 -12.500 -7.910 1.00 53.52 C ATOM 51 CG HIS A 4 -17.196 -11.805 -8.845 1.00 74.12 C ATOM 52 ND1 HIS A 4 -17.591 -11.236 -10.027 1.00 41.01 N ATOM 53 CD2 HIS A 4 -15.864 -11.605 -8.767 1.00 25.11 C ATOM 54 CE1 HIS A 4 -16.553 -10.721 -10.631 1.00 12.22 C ATOM 55 NE2 HIS A 4 -15.488 -10.930 -9.891 1.00 52.22 N ATOM 0 H HIS A 4 -19.763 -13.305 -6.221 1.00 51.21 H new ATOM 0 HA HIS A 4 -17.901 -11.138 -6.280 1.00 31.15 H new ATOM 0 HB2 HIS A 4 -17.610 -13.328 -7.436 1.00 53.52 H new ATOM 0 HB3 HIS A 4 -18.952 -12.931 -8.490 1.00 53.52 H new ATOM 0 HD2 HIS A 4 -15.215 -11.921 -7.963 1.00 25.11 H new ATOM 0 HE1 HIS A 4 -16.568 -10.208 -11.581 1.00 12.22 H new ATOM 0 HE2 HIS A 4 -14.538 -10.636 -10.119 1.00 52.22 H new ATOM 64 N HIS A 5 -19.508 -9.356 -6.786 1.00 2.42 N ATOM 65 CA HIS A 5 -20.207 -8.154 -7.160 1.00 63.12 C ATOM 66 C HIS A 5 -19.501 -7.050 -6.414 1.00 15.44 C ATOM 67 O HIS A 5 -20.027 -6.469 -5.461 1.00 61.51 O ATOM 68 CB HIS A 5 -21.694 -8.248 -6.729 1.00 12.13 C ATOM 69 CG HIS A 5 -22.603 -7.136 -7.202 1.00 34.12 C ATOM 70 ND1 HIS A 5 -23.625 -7.342 -8.095 1.00 41.22 N ATOM 71 CD2 HIS A 5 -22.672 -5.830 -6.867 1.00 11.51 C ATOM 72 CE1 HIS A 5 -24.271 -6.220 -8.289 1.00 13.12 C ATOM 73 NE2 HIS A 5 -23.716 -5.289 -7.557 1.00 53.35 N ATOM 0 H HIS A 5 -18.929 -9.234 -5.955 1.00 2.42 H new ATOM 0 HA HIS A 5 -20.202 -7.984 -8.237 1.00 63.12 H new ATOM 0 HB2 HIS A 5 -22.095 -9.195 -7.091 1.00 12.13 H new ATOM 0 HB3 HIS A 5 -21.733 -8.281 -5.640 1.00 12.13 H new ATOM 0 HD2 HIS A 5 -22.021 -5.310 -6.180 1.00 11.51 H new ATOM 0 HE1 HIS A 5 -25.120 -6.086 -8.943 1.00 13.12 H new ATOM 0 HE2 HIS A 5 -24.016 -4.315 -7.510 1.00 53.35 H new ATOM 82 N HIS A 6 -18.281 -6.825 -6.788 1.00 71.31 N ATOM 83 CA HIS A 6 -17.455 -5.908 -6.068 1.00 21.35 C ATOM 84 C HIS A 6 -16.831 -4.891 -7.001 1.00 12.23 C ATOM 85 O HIS A 6 -15.773 -5.120 -7.564 1.00 65.41 O ATOM 86 CB HIS A 6 -16.384 -6.701 -5.283 1.00 41.24 C ATOM 87 CG HIS A 6 -15.534 -5.915 -4.344 1.00 22.42 C ATOM 88 ND1 HIS A 6 -15.811 -5.800 -3.002 1.00 20.03 N ATOM 89 CD2 HIS A 6 -14.382 -5.241 -4.543 1.00 61.52 C ATOM 90 CE1 HIS A 6 -14.877 -5.098 -2.424 1.00 60.43 C ATOM 91 NE2 HIS A 6 -13.994 -4.746 -3.332 1.00 54.14 N ATOM 0 H HIS A 6 -17.833 -7.266 -7.591 1.00 71.31 H new ATOM 0 HA HIS A 6 -18.065 -5.348 -5.359 1.00 21.35 H new ATOM 0 HB2 HIS A 6 -16.886 -7.484 -4.715 1.00 41.24 H new ATOM 0 HB3 HIS A 6 -15.731 -7.197 -6.001 1.00 41.24 H new ATOM 0 HD2 HIS A 6 -13.865 -5.117 -5.483 1.00 61.52 H new ATOM 0 HE1 HIS A 6 -14.836 -4.847 -1.374 1.00 60.43 H new ATOM 0 HE2 HIS A 6 -13.155 -4.193 -3.159 1.00 54.14 H new ATOM 100 N HIS A 7 -17.549 -3.814 -7.225 1.00 33.15 N ATOM 101 CA HIS A 7 -17.062 -2.685 -7.993 1.00 14.20 C ATOM 102 C HIS A 7 -17.895 -1.443 -7.710 1.00 32.33 C ATOM 103 O HIS A 7 -18.822 -1.093 -8.443 1.00 34.41 O ATOM 104 CB HIS A 7 -16.873 -2.970 -9.525 1.00 61.00 C ATOM 105 CG HIS A 7 -18.105 -3.372 -10.305 1.00 14.15 C ATOM 106 ND1 HIS A 7 -18.520 -4.672 -10.438 1.00 13.11 N ATOM 107 CD2 HIS A 7 -18.985 -2.631 -11.021 1.00 63.11 C ATOM 108 CE1 HIS A 7 -19.592 -4.720 -11.198 1.00 25.43 C ATOM 109 NE2 HIS A 7 -19.896 -3.497 -11.565 1.00 71.53 N ATOM 0 H HIS A 7 -18.500 -3.694 -6.876 1.00 33.15 H new ATOM 0 HA HIS A 7 -16.047 -2.493 -7.647 1.00 14.20 H new ATOM 0 HB2 HIS A 7 -16.456 -2.075 -9.987 1.00 61.00 H new ATOM 0 HB3 HIS A 7 -16.130 -3.760 -9.634 1.00 61.00 H new ATOM 0 HD2 HIS A 7 -18.971 -1.558 -11.140 1.00 63.11 H new ATOM 0 HE1 HIS A 7 -20.131 -5.614 -11.474 1.00 25.43 H new ATOM 0 HE2 HIS A 7 -20.683 -3.234 -12.159 1.00 71.53 H new ATOM 118 N LEU A 8 -17.610 -0.843 -6.596 1.00 2.35 N ATOM 119 CA LEU A 8 -18.280 0.347 -6.170 1.00 35.12 C ATOM 120 C LEU A 8 -17.254 1.329 -5.682 1.00 64.43 C ATOM 121 O LEU A 8 -16.911 1.340 -4.500 1.00 63.30 O ATOM 122 CB LEU A 8 -19.315 0.043 -5.071 1.00 10.43 C ATOM 123 CG LEU A 8 -20.091 1.243 -4.511 1.00 25.11 C ATOM 124 CD1 LEU A 8 -20.879 1.933 -5.607 1.00 21.34 C ATOM 125 CD2 LEU A 8 -21.009 0.804 -3.378 1.00 4.32 C ATOM 0 H LEU A 8 -16.895 -1.171 -5.947 1.00 2.35 H new ATOM 0 HA LEU A 8 -18.825 0.774 -7.012 1.00 35.12 H new ATOM 0 HB2 LEU A 8 -20.034 -0.673 -5.468 1.00 10.43 H new ATOM 0 HB3 LEU A 8 -18.801 -0.447 -4.244 1.00 10.43 H new ATOM 0 HG LEU A 8 -19.373 1.959 -4.111 1.00 25.11 H new ATOM 0 HD11 LEU A 8 -21.421 2.780 -5.187 1.00 21.34 H new ATOM 0 HD12 LEU A 8 -20.196 2.286 -6.379 1.00 21.34 H new ATOM 0 HD13 LEU A 8 -21.588 1.229 -6.044 1.00 21.34 H new ATOM 0 HD21 LEU A 8 -21.551 1.668 -2.993 1.00 4.32 H new ATOM 0 HD22 LEU A 8 -21.720 0.066 -3.751 1.00 4.32 H new ATOM 0 HD23 LEU A 8 -20.414 0.363 -2.578 1.00 4.32 H new ATOM 137 N GLU A 9 -16.711 2.077 -6.619 1.00 74.32 N ATOM 138 CA GLU A 9 -15.676 3.065 -6.378 1.00 41.32 C ATOM 139 C GLU A 9 -14.353 2.452 -5.924 1.00 71.32 C ATOM 140 O GLU A 9 -14.270 1.709 -4.928 1.00 14.40 O ATOM 141 CB GLU A 9 -16.113 4.201 -5.445 1.00 42.00 C ATOM 142 CG GLU A 9 -17.256 5.038 -5.985 1.00 15.32 C ATOM 143 CD GLU A 9 -17.518 6.251 -5.138 1.00 53.21 C ATOM 144 OE1 GLU A 9 -18.276 6.159 -4.162 1.00 23.04 O ATOM 145 OE2 GLU A 9 -16.957 7.330 -5.439 1.00 40.50 O ATOM 0 H GLU A 9 -16.985 2.014 -7.600 1.00 74.32 H new ATOM 0 HA GLU A 9 -15.502 3.516 -7.355 1.00 41.32 H new ATOM 0 HB2 GLU A 9 -16.409 3.776 -4.486 1.00 42.00 H new ATOM 0 HB3 GLU A 9 -15.259 4.851 -5.256 1.00 42.00 H new ATOM 0 HG2 GLU A 9 -17.026 5.351 -7.004 1.00 15.32 H new ATOM 0 HG3 GLU A 9 -18.159 4.429 -6.034 1.00 15.32 H new ATOM 152 N LEU A 10 -13.345 2.761 -6.666 1.00 15.34 N ATOM 153 CA LEU A 10 -12.006 2.349 -6.405 1.00 31.43 C ATOM 154 C LEU A 10 -11.105 3.500 -6.748 1.00 11.24 C ATOM 155 O LEU A 10 -10.845 3.768 -7.925 1.00 13.33 O ATOM 156 CB LEU A 10 -11.618 1.110 -7.254 1.00 52.44 C ATOM 157 CG LEU A 10 -12.322 -0.220 -6.939 1.00 45.45 C ATOM 158 CD1 LEU A 10 -11.986 -1.255 -7.999 1.00 62.23 C ATOM 159 CD2 LEU A 10 -11.874 -0.737 -5.582 1.00 33.33 C ATOM 0 H LEU A 10 -13.434 3.332 -7.507 1.00 15.34 H new ATOM 0 HA LEU A 10 -11.908 2.068 -5.356 1.00 31.43 H new ATOM 0 HB2 LEU A 10 -11.805 1.349 -8.301 1.00 52.44 H new ATOM 0 HB3 LEU A 10 -10.544 0.954 -7.149 1.00 52.44 H new ATOM 0 HG LEU A 10 -13.398 -0.047 -6.928 1.00 45.45 H new ATOM 0 HD11 LEU A 10 -12.490 -2.193 -7.765 1.00 62.23 H new ATOM 0 HD12 LEU A 10 -12.318 -0.898 -8.974 1.00 62.23 H new ATOM 0 HD13 LEU A 10 -10.908 -1.418 -8.020 1.00 62.23 H new ATOM 0 HD21 LEU A 10 -12.378 -1.679 -5.367 1.00 33.33 H new ATOM 0 HD22 LEU A 10 -10.796 -0.896 -5.591 1.00 33.33 H new ATOM 0 HD23 LEU A 10 -12.127 -0.007 -4.813 1.00 33.33 H new ATOM 171 N GLU A 11 -10.671 4.200 -5.755 1.00 32.20 N ATOM 172 CA GLU A 11 -9.771 5.298 -5.937 1.00 40.43 C ATOM 173 C GLU A 11 -8.634 5.147 -4.980 1.00 24.33 C ATOM 174 O GLU A 11 -8.803 5.175 -3.763 1.00 13.14 O ATOM 175 CB GLU A 11 -10.477 6.674 -5.872 1.00 13.12 C ATOM 176 CG GLU A 11 -11.315 6.914 -4.643 1.00 33.52 C ATOM 177 CD GLU A 11 -12.007 8.256 -4.665 1.00 63.24 C ATOM 178 OE1 GLU A 11 -13.031 8.394 -5.378 1.00 1.31 O ATOM 179 OE2 GLU A 11 -11.562 9.186 -3.956 1.00 55.42 O ATOM 0 H GLU A 11 -10.931 4.028 -4.784 1.00 32.20 H new ATOM 0 HA GLU A 11 -9.367 5.272 -6.949 1.00 40.43 H new ATOM 0 HB2 GLU A 11 -9.719 7.455 -5.932 1.00 13.12 H new ATOM 0 HB3 GLU A 11 -11.113 6.779 -6.751 1.00 13.12 H new ATOM 0 HG2 GLU A 11 -12.062 6.125 -4.558 1.00 33.52 H new ATOM 0 HG3 GLU A 11 -10.682 6.850 -3.758 1.00 33.52 H new ATOM 186 N VAL A 12 -7.486 4.928 -5.525 1.00 72.53 N ATOM 187 CA VAL A 12 -6.343 4.580 -4.744 1.00 72.42 C ATOM 188 C VAL A 12 -5.203 5.516 -5.064 1.00 64.35 C ATOM 189 O VAL A 12 -5.030 5.917 -6.217 1.00 24.55 O ATOM 190 CB VAL A 12 -5.938 3.117 -5.055 1.00 70.23 C ATOM 191 CG1 VAL A 12 -4.823 2.638 -4.161 1.00 20.32 C ATOM 192 CG2 VAL A 12 -7.148 2.188 -4.966 1.00 72.20 C ATOM 0 H VAL A 12 -7.311 4.985 -6.528 1.00 72.53 H new ATOM 0 HA VAL A 12 -6.581 4.669 -3.684 1.00 72.42 H new ATOM 0 HB VAL A 12 -5.562 3.095 -6.078 1.00 70.23 H new ATOM 0 HG11 VAL A 12 -4.571 1.608 -4.414 1.00 20.32 H new ATOM 0 HG12 VAL A 12 -3.947 3.271 -4.301 1.00 20.32 H new ATOM 0 HG13 VAL A 12 -5.144 2.688 -3.120 1.00 20.32 H new ATOM 0 HG21 VAL A 12 -6.840 1.166 -5.188 1.00 72.20 H new ATOM 0 HG22 VAL A 12 -7.566 2.230 -3.960 1.00 72.20 H new ATOM 0 HG23 VAL A 12 -7.903 2.504 -5.686 1.00 72.20 H new ATOM 202 N HIS A 13 -4.452 5.884 -4.051 1.00 42.34 N ATOM 203 CA HIS A 13 -3.342 6.802 -4.202 1.00 54.02 C ATOM 204 C HIS A 13 -2.418 6.686 -3.011 1.00 14.33 C ATOM 205 O HIS A 13 -2.874 6.370 -1.908 1.00 44.00 O ATOM 206 CB HIS A 13 -3.857 8.271 -4.342 1.00 64.12 C ATOM 207 CG HIS A 13 -4.630 8.824 -3.153 1.00 54.22 C ATOM 208 ND1 HIS A 13 -4.257 9.963 -2.484 1.00 64.41 N ATOM 209 CD2 HIS A 13 -5.777 8.406 -2.549 1.00 41.15 C ATOM 210 CE1 HIS A 13 -5.126 10.222 -1.528 1.00 54.13 C ATOM 211 NE2 HIS A 13 -6.056 9.297 -1.545 1.00 54.40 N ATOM 0 H HIS A 13 -4.593 5.555 -3.096 1.00 42.34 H new ATOM 0 HA HIS A 13 -2.795 6.543 -5.108 1.00 54.02 H new ATOM 0 HB2 HIS A 13 -3.000 8.919 -4.526 1.00 64.12 H new ATOM 0 HB3 HIS A 13 -4.495 8.329 -5.224 1.00 64.12 H new ATOM 0 HD2 HIS A 13 -6.359 7.535 -2.812 1.00 41.15 H new ATOM 0 HE1 HIS A 13 -5.080 11.057 -0.844 1.00 54.13 H new ATOM 0 HE2 HIS A 13 -6.856 9.249 -0.914 1.00 54.40 H new ATOM 220 N ILE A 14 -1.142 6.895 -3.223 1.00 73.23 N ATOM 221 CA ILE A 14 -0.184 6.935 -2.132 1.00 15.54 C ATOM 222 C ILE A 14 0.159 8.414 -1.865 1.00 65.14 C ATOM 223 O ILE A 14 1.025 8.985 -2.525 1.00 42.23 O ATOM 224 CB ILE A 14 1.115 6.144 -2.479 1.00 50.04 C ATOM 225 CG1 ILE A 14 0.765 4.705 -2.903 1.00 75.31 C ATOM 226 CG2 ILE A 14 2.071 6.127 -1.283 1.00 55.41 C ATOM 227 CD1 ILE A 14 1.964 3.861 -3.297 1.00 22.45 C ATOM 0 H ILE A 14 -0.735 7.042 -4.147 1.00 73.23 H new ATOM 0 HA ILE A 14 -0.620 6.467 -1.250 1.00 15.54 H new ATOM 0 HB ILE A 14 1.612 6.644 -3.310 1.00 50.04 H new ATOM 0 HG12 ILE A 14 0.243 4.213 -2.082 1.00 75.31 H new ATOM 0 HG13 ILE A 14 0.071 4.745 -3.743 1.00 75.31 H new ATOM 0 HG21 ILE A 14 2.971 5.571 -1.545 1.00 55.41 H new ATOM 0 HG22 ILE A 14 2.340 7.149 -1.018 1.00 55.41 H new ATOM 0 HG23 ILE A 14 1.583 5.649 -0.434 1.00 55.41 H new ATOM 0 HD11 ILE A 14 1.629 2.863 -3.581 1.00 22.45 H new ATOM 0 HD12 ILE A 14 2.475 4.326 -4.140 1.00 22.45 H new ATOM 0 HD13 ILE A 14 2.650 3.787 -2.453 1.00 22.45 H new ATOM 239 N PRO A 15 -0.571 9.079 -0.932 1.00 21.41 N ATOM 240 CA PRO A 15 -0.410 10.521 -0.691 1.00 31.24 C ATOM 241 C PRO A 15 0.899 10.945 -0.011 1.00 52.52 C ATOM 242 O PRO A 15 1.403 12.044 -0.279 1.00 12.52 O ATOM 243 CB PRO A 15 -1.601 10.862 0.203 1.00 54.54 C ATOM 244 CG PRO A 15 -1.927 9.587 0.902 1.00 63.11 C ATOM 245 CD PRO A 15 -1.642 8.500 -0.083 1.00 42.34 C ATOM 0 HA PRO A 15 -0.370 11.051 -1.643 1.00 31.24 H new ATOM 0 HB2 PRO A 15 -1.350 11.650 0.913 1.00 54.54 H new ATOM 0 HB3 PRO A 15 -2.447 11.219 -0.384 1.00 54.54 H new ATOM 0 HG2 PRO A 15 -1.323 9.468 1.801 1.00 63.11 H new ATOM 0 HG3 PRO A 15 -2.971 9.568 1.215 1.00 63.11 H new ATOM 0 HD2 PRO A 15 -1.313 7.586 0.411 1.00 42.34 H new ATOM 0 HD3 PRO A 15 -2.526 8.246 -0.668 1.00 42.34 H new ATOM 253 N SER A 16 1.464 10.112 0.836 1.00 51.30 N ATOM 254 CA SER A 16 2.663 10.517 1.544 1.00 0.11 C ATOM 255 C SER A 16 3.605 9.353 1.750 1.00 55.12 C ATOM 256 O SER A 16 3.169 8.213 1.935 1.00 64.24 O ATOM 257 CB SER A 16 2.290 11.133 2.899 1.00 22.25 C ATOM 258 OG SER A 16 1.435 12.258 2.733 1.00 5.15 O ATOM 0 H SER A 16 1.125 9.174 1.049 1.00 51.30 H new ATOM 0 HA SER A 16 3.176 11.261 0.934 1.00 0.11 H new ATOM 0 HB2 SER A 16 1.795 10.385 3.518 1.00 22.25 H new ATOM 0 HB3 SER A 16 3.195 11.435 3.426 1.00 22.25 H new ATOM 0 HG SER A 16 1.211 12.631 3.611 1.00 5.15 H new ATOM 264 N VAL A 17 4.889 9.639 1.731 1.00 21.14 N ATOM 265 CA VAL A 17 5.920 8.643 1.930 1.00 30.42 C ATOM 266 C VAL A 17 7.047 9.277 2.724 1.00 11.22 C ATOM 267 O VAL A 17 7.212 10.496 2.691 1.00 11.33 O ATOM 268 CB VAL A 17 6.523 8.166 0.584 1.00 63.21 C ATOM 269 CG1 VAL A 17 7.494 7.001 0.772 1.00 52.34 C ATOM 270 CG2 VAL A 17 5.478 7.858 -0.473 1.00 44.11 C ATOM 0 H VAL A 17 5.251 10.580 1.575 1.00 21.14 H new ATOM 0 HA VAL A 17 5.473 7.792 2.444 1.00 30.42 H new ATOM 0 HB VAL A 17 7.093 9.014 0.204 1.00 63.21 H new ATOM 0 HG11 VAL A 17 7.892 6.699 -0.197 1.00 52.34 H new ATOM 0 HG12 VAL A 17 8.313 7.311 1.421 1.00 52.34 H new ATOM 0 HG13 VAL A 17 6.970 6.160 1.227 1.00 52.34 H new ATOM 0 HG21 VAL A 17 5.972 7.530 -1.388 1.00 44.11 H new ATOM 0 HG22 VAL A 17 4.819 7.068 -0.113 1.00 44.11 H new ATOM 0 HG23 VAL A 17 4.892 8.754 -0.678 1.00 44.11 H new ATOM 280 N GLY A 18 7.771 8.479 3.459 1.00 44.54 N ATOM 281 CA GLY A 18 8.908 8.961 4.160 1.00 13.31 C ATOM 282 C GLY A 18 9.840 7.836 4.545 1.00 55.22 C ATOM 283 O GLY A 18 9.380 6.784 4.995 1.00 21.34 O ATOM 0 H GLY A 18 7.584 7.484 3.583 1.00 44.54 H new ATOM 0 HA2 GLY A 18 9.442 9.680 3.539 1.00 13.31 H new ATOM 0 HA3 GLY A 18 8.586 9.491 5.056 1.00 13.31 H new ATOM 287 N PRO A 19 11.145 7.963 4.310 1.00 44.32 N ATOM 288 CA PRO A 19 12.107 7.019 4.845 1.00 43.15 C ATOM 289 C PRO A 19 12.219 7.252 6.343 1.00 55.02 C ATOM 290 O PRO A 19 12.916 8.172 6.785 1.00 2.25 O ATOM 291 CB PRO A 19 13.424 7.362 4.139 1.00 24.54 C ATOM 292 CG PRO A 19 13.052 8.320 3.052 1.00 44.44 C ATOM 293 CD PRO A 19 11.781 8.989 3.485 1.00 52.53 C ATOM 0 HA PRO A 19 11.834 5.976 4.687 1.00 43.15 H new ATOM 0 HB2 PRO A 19 14.136 7.810 4.832 1.00 24.54 H new ATOM 0 HB3 PRO A 19 13.896 6.468 3.731 1.00 24.54 H new ATOM 0 HG2 PRO A 19 13.842 9.054 2.896 1.00 44.44 H new ATOM 0 HG3 PRO A 19 12.911 7.797 2.106 1.00 44.44 H new ATOM 0 HD2 PRO A 19 11.975 9.901 4.050 1.00 52.53 H new ATOM 0 HD3 PRO A 19 11.159 9.268 2.634 1.00 52.53 H new ATOM 301 N GLU A 20 11.484 6.473 7.124 1.00 4.25 N ATOM 302 CA GLU A 20 11.376 6.762 8.538 1.00 21.31 C ATOM 303 C GLU A 20 10.902 5.557 9.350 1.00 41.20 C ATOM 304 O GLU A 20 10.504 5.707 10.509 1.00 70.31 O ATOM 305 CB GLU A 20 10.379 7.920 8.702 1.00 73.43 C ATOM 306 CG GLU A 20 8.977 7.602 8.193 1.00 60.03 C ATOM 307 CD GLU A 20 8.048 8.780 8.231 1.00 2.33 C ATOM 308 OE1 GLU A 20 7.451 9.048 9.291 1.00 64.51 O ATOM 309 OE2 GLU A 20 7.863 9.444 7.194 1.00 23.01 O ATOM 0 H GLU A 20 10.965 5.654 6.807 1.00 4.25 H new ATOM 0 HA GLU A 20 12.364 7.024 8.917 1.00 21.31 H new ATOM 0 HB2 GLU A 20 10.320 8.190 9.756 1.00 73.43 H new ATOM 0 HB3 GLU A 20 10.759 8.792 8.171 1.00 73.43 H new ATOM 0 HG2 GLU A 20 9.045 7.235 7.169 1.00 60.03 H new ATOM 0 HG3 GLU A 20 8.555 6.796 8.793 1.00 60.03 H new ATOM 316 N ALA A 21 10.957 4.376 8.784 1.00 42.34 N ATOM 317 CA ALA A 21 10.479 3.215 9.503 1.00 71.20 C ATOM 318 C ALA A 21 11.579 2.617 10.360 1.00 13.12 C ATOM 319 O ALA A 21 12.469 1.918 9.865 1.00 43.04 O ATOM 320 CB ALA A 21 9.878 2.178 8.562 1.00 34.54 C ATOM 0 H ALA A 21 11.319 4.192 7.848 1.00 42.34 H new ATOM 0 HA ALA A 21 9.680 3.544 10.167 1.00 71.20 H new ATOM 0 HB1 ALA A 21 9.530 1.321 9.139 1.00 34.54 H new ATOM 0 HB2 ALA A 21 9.038 2.618 8.024 1.00 34.54 H new ATOM 0 HB3 ALA A 21 10.635 1.852 7.849 1.00 34.54 H new ATOM 326 N GLU A 22 11.539 2.934 11.627 1.00 74.10 N ATOM 327 CA GLU A 22 12.489 2.417 12.572 1.00 24.43 C ATOM 328 C GLU A 22 11.796 1.401 13.460 1.00 43.24 C ATOM 329 O GLU A 22 10.762 1.699 14.086 1.00 22.44 O ATOM 330 CB GLU A 22 13.118 3.556 13.399 1.00 74.34 C ATOM 331 CG GLU A 22 12.118 4.398 14.187 1.00 3.22 C ATOM 332 CD GLU A 22 12.776 5.492 14.973 1.00 11.14 C ATOM 333 OE1 GLU A 22 13.303 5.212 16.074 1.00 22.21 O ATOM 334 OE2 GLU A 22 12.774 6.652 14.505 1.00 74.01 O ATOM 0 H GLU A 22 10.844 3.560 12.033 1.00 74.10 H new ATOM 0 HA GLU A 22 13.303 1.925 12.040 1.00 24.43 H new ATOM 0 HB2 GLU A 22 13.839 3.126 14.095 1.00 74.34 H new ATOM 0 HB3 GLU A 22 13.674 4.210 12.728 1.00 74.34 H new ATOM 0 HG2 GLU A 22 11.395 4.835 13.498 1.00 3.22 H new ATOM 0 HG3 GLU A 22 11.561 3.752 14.866 1.00 3.22 H new ATOM 341 N GLY A 23 12.325 0.209 13.511 1.00 43.44 N ATOM 342 CA GLY A 23 11.677 -0.808 14.281 1.00 51.33 C ATOM 343 C GLY A 23 12.172 -2.219 14.036 1.00 11.35 C ATOM 344 O GLY A 23 12.516 -2.904 15.001 1.00 23.21 O ATOM 0 H GLY A 23 13.184 -0.075 13.039 1.00 43.44 H new ATOM 0 HA2 GLY A 23 11.802 -0.575 15.338 1.00 51.33 H new ATOM 0 HA3 GLY A 23 10.608 -0.774 14.071 1.00 51.33 H new ATOM 348 N PRO A 24 12.246 -2.707 12.763 1.00 60.51 N ATOM 349 CA PRO A 24 12.581 -4.089 12.499 1.00 15.34 C ATOM 350 C PRO A 24 14.045 -4.423 12.747 1.00 51.03 C ATOM 351 O PRO A 24 14.871 -3.555 13.090 1.00 5.13 O ATOM 352 CB PRO A 24 12.216 -4.277 11.011 1.00 74.51 C ATOM 353 CG PRO A 24 11.448 -3.056 10.651 1.00 41.13 C ATOM 354 CD PRO A 24 12.027 -1.989 11.492 1.00 54.25 C ATOM 0 HA PRO A 24 12.044 -4.757 13.172 1.00 15.34 H new ATOM 0 HB2 PRO A 24 13.109 -4.379 10.394 1.00 74.51 H new ATOM 0 HB3 PRO A 24 11.621 -5.178 10.860 1.00 74.51 H new ATOM 0 HG2 PRO A 24 11.548 -2.823 9.591 1.00 41.13 H new ATOM 0 HG3 PRO A 24 10.384 -3.184 10.850 1.00 41.13 H new ATOM 0 HD2 PRO A 24 12.955 -1.597 11.077 1.00 54.25 H new ATOM 0 HD3 PRO A 24 11.348 -1.144 11.609 1.00 54.25 H new ATOM 362 N ARG A 25 14.339 -5.682 12.573 1.00 71.50 N ATOM 363 CA ARG A 25 15.656 -6.234 12.744 1.00 33.44 C ATOM 364 C ARG A 25 16.382 -6.170 11.400 1.00 13.32 C ATOM 365 O ARG A 25 16.075 -5.302 10.562 1.00 51.24 O ATOM 366 CB ARG A 25 15.501 -7.696 13.186 1.00 54.23 C ATOM 367 CG ARG A 25 14.719 -7.862 14.478 1.00 20.11 C ATOM 368 CD ARG A 25 14.512 -9.324 14.820 1.00 41.11 C ATOM 369 NE ARG A 25 13.752 -9.485 16.060 1.00 62.43 N ATOM 370 CZ ARG A 25 13.259 -10.636 16.518 1.00 75.52 C ATOM 371 NH1 ARG A 25 13.408 -11.755 15.815 1.00 12.01 N ATOM 372 NH2 ARG A 25 12.614 -10.663 17.678 1.00 72.33 N ATOM 0 H ARG A 25 13.644 -6.377 12.299 1.00 71.50 H new ATOM 0 HA ARG A 25 16.226 -5.680 13.490 1.00 33.44 H new ATOM 0 HB2 ARG A 25 15.002 -8.255 12.395 1.00 54.23 H new ATOM 0 HB3 ARG A 25 16.490 -8.136 13.311 1.00 54.23 H new ATOM 0 HG2 ARG A 25 15.251 -7.369 15.292 1.00 20.11 H new ATOM 0 HG3 ARG A 25 13.751 -7.369 14.384 1.00 20.11 H new ATOM 0 HD2 ARG A 25 13.986 -9.818 14.003 1.00 41.11 H new ATOM 0 HD3 ARG A 25 15.480 -9.816 14.919 1.00 41.11 H new ATOM 0 HE ARG A 25 13.586 -8.649 16.620 1.00 62.43 H new ATOM 0 HH11 ARG A 25 13.901 -11.735 14.922 1.00 12.01 H new ATOM 0 HH12 ARG A 25 13.029 -12.634 16.169 1.00 12.01 H new ATOM 0 HH21 ARG A 25 12.497 -9.805 18.216 1.00 72.33 H new ATOM 0 HH22 ARG A 25 12.236 -11.542 18.031 1.00 72.33 H new ATOM 386 N GLN A 26 17.340 -7.062 11.203 1.00 35.14 N ATOM 387 CA GLN A 26 18.077 -7.145 9.957 1.00 72.53 C ATOM 388 C GLN A 26 17.071 -7.383 8.831 1.00 62.33 C ATOM 389 O GLN A 26 16.324 -8.364 8.839 1.00 21.12 O ATOM 390 CB GLN A 26 19.149 -8.279 10.076 1.00 71.03 C ATOM 391 CG GLN A 26 20.207 -8.396 8.945 1.00 25.23 C ATOM 392 CD GLN A 26 19.784 -9.150 7.674 1.00 23.22 C ATOM 393 OE1 GLN A 26 18.634 -9.184 7.280 1.00 23.51 O ATOM 394 NE2 GLN A 26 20.743 -9.773 7.039 1.00 41.23 N ATOM 0 H GLN A 26 17.626 -7.747 11.903 1.00 35.14 H new ATOM 0 HA GLN A 26 18.616 -6.224 9.735 1.00 72.53 H new ATOM 0 HB2 GLN A 26 19.680 -8.141 11.018 1.00 71.03 H new ATOM 0 HB3 GLN A 26 18.623 -9.231 10.143 1.00 71.03 H new ATOM 0 HG2 GLN A 26 20.509 -7.389 8.658 1.00 25.23 H new ATOM 0 HG3 GLN A 26 21.089 -8.889 9.355 1.00 25.23 H new ATOM 0 HE21 GLN A 26 21.700 -9.729 7.390 1.00 41.23 H new ATOM 0 HE22 GLN A 26 20.534 -10.303 6.193 1.00 41.23 H new ATOM 403 N SER A 27 17.010 -6.459 7.919 1.00 44.24 N ATOM 404 CA SER A 27 16.089 -6.531 6.832 1.00 54.11 C ATOM 405 C SER A 27 16.851 -6.886 5.558 1.00 64.34 C ATOM 406 O SER A 27 17.778 -6.167 5.168 1.00 4.31 O ATOM 407 CB SER A 27 15.349 -5.173 6.675 1.00 15.12 C ATOM 408 OG SER A 27 14.410 -5.203 5.597 1.00 2.41 O ATOM 0 H SER A 27 17.604 -5.630 7.911 1.00 44.24 H new ATOM 0 HA SER A 27 15.343 -7.302 7.026 1.00 54.11 H new ATOM 0 HB2 SER A 27 14.830 -4.932 7.603 1.00 15.12 H new ATOM 0 HB3 SER A 27 16.077 -4.380 6.502 1.00 15.12 H new ATOM 0 HG SER A 27 13.962 -4.334 5.529 1.00 2.41 H new ATOM 414 N PRO A 28 16.500 -8.010 4.904 1.00 52.31 N ATOM 415 CA PRO A 28 17.139 -8.423 3.649 1.00 65.34 C ATOM 416 C PRO A 28 16.746 -7.510 2.490 1.00 53.11 C ATOM 417 O PRO A 28 17.428 -7.447 1.462 1.00 61.12 O ATOM 418 CB PRO A 28 16.600 -9.837 3.417 1.00 73.30 C ATOM 419 CG PRO A 28 15.316 -9.888 4.168 1.00 64.23 C ATOM 420 CD PRO A 28 15.485 -8.984 5.354 1.00 21.55 C ATOM 0 HA PRO A 28 18.226 -8.377 3.707 1.00 65.34 H new ATOM 0 HB2 PRO A 28 16.444 -10.031 2.356 1.00 73.30 H new ATOM 0 HB3 PRO A 28 17.299 -10.590 3.779 1.00 73.30 H new ATOM 0 HG2 PRO A 28 14.487 -9.558 3.543 1.00 64.23 H new ATOM 0 HG3 PRO A 28 15.091 -10.906 4.484 1.00 64.23 H new ATOM 0 HD2 PRO A 28 14.549 -8.494 5.621 1.00 21.55 H new ATOM 0 HD3 PRO A 28 15.819 -9.534 6.234 1.00 21.55 H new ATOM 428 N GLU A 29 15.648 -6.797 2.661 1.00 24.31 N ATOM 429 CA GLU A 29 15.181 -5.893 1.645 1.00 50.13 C ATOM 430 C GLU A 29 15.881 -4.546 1.839 1.00 32.43 C ATOM 431 O GLU A 29 16.154 -3.834 0.879 1.00 40.30 O ATOM 432 CB GLU A 29 13.664 -5.723 1.734 1.00 11.35 C ATOM 433 CG GLU A 29 12.871 -7.036 1.821 1.00 42.44 C ATOM 434 CD GLU A 29 13.102 -7.989 0.681 1.00 30.43 C ATOM 435 OE1 GLU A 29 14.011 -8.833 0.775 1.00 14.04 O ATOM 436 OE2 GLU A 29 12.354 -7.947 -0.316 1.00 1.33 O ATOM 0 H GLU A 29 15.067 -6.832 3.499 1.00 24.31 H new ATOM 0 HA GLU A 29 15.413 -6.294 0.659 1.00 50.13 H new ATOM 0 HB2 GLU A 29 13.432 -5.116 2.609 1.00 11.35 H new ATOM 0 HB3 GLU A 29 13.323 -5.167 0.861 1.00 11.35 H new ATOM 0 HG2 GLU A 29 13.128 -7.538 2.754 1.00 42.44 H new ATOM 0 HG3 GLU A 29 11.808 -6.800 1.869 1.00 42.44 H new ATOM 443 N LYS A 30 16.147 -4.211 3.121 1.00 5.24 N ATOM 444 CA LYS A 30 16.901 -2.999 3.557 1.00 32.42 C ATOM 445 C LYS A 30 16.120 -1.704 3.419 1.00 64.25 C ATOM 446 O LYS A 30 16.562 -0.641 3.878 1.00 33.10 O ATOM 447 CB LYS A 30 18.270 -2.869 2.873 1.00 33.51 C ATOM 448 CG LYS A 30 19.245 -3.985 3.193 1.00 2.05 C ATOM 449 CD LYS A 30 20.615 -3.735 2.564 1.00 54.02 C ATOM 450 CE LYS A 30 20.545 -3.651 1.045 1.00 43.01 C ATOM 451 NZ LYS A 30 20.033 -4.901 0.445 1.00 33.13 N ATOM 0 H LYS A 30 15.839 -4.785 3.906 1.00 5.24 H new ATOM 0 HA LYS A 30 17.066 -3.160 4.622 1.00 32.42 H new ATOM 0 HB2 LYS A 30 18.120 -2.834 1.794 1.00 33.51 H new ATOM 0 HB3 LYS A 30 18.718 -1.919 3.164 1.00 33.51 H new ATOM 0 HG2 LYS A 30 19.352 -4.076 4.274 1.00 2.05 H new ATOM 0 HG3 LYS A 30 18.846 -4.932 2.831 1.00 2.05 H new ATOM 0 HD2 LYS A 30 21.030 -2.808 2.959 1.00 54.02 H new ATOM 0 HD3 LYS A 30 21.296 -4.536 2.851 1.00 54.02 H new ATOM 0 HE2 LYS A 30 19.901 -2.820 0.757 1.00 43.01 H new ATOM 0 HE3 LYS A 30 21.537 -3.438 0.647 1.00 43.01 H new ATOM 0 HZ1 LYS A 30 20.143 -4.861 -0.588 1.00 33.13 H new ATOM 0 HZ2 LYS A 30 20.568 -5.710 0.819 1.00 33.13 H new ATOM 0 HZ3 LYS A 30 19.026 -5.013 0.682 1.00 33.13 H new ATOM 465 N SER A 31 14.988 -1.770 2.803 1.00 21.21 N ATOM 466 CA SER A 31 14.186 -0.616 2.643 1.00 23.13 C ATOM 467 C SER A 31 13.332 -0.377 3.884 1.00 4.43 C ATOM 468 O SER A 31 12.242 -0.934 4.025 1.00 51.24 O ATOM 469 CB SER A 31 13.323 -0.739 1.404 1.00 73.22 C ATOM 470 OG SER A 31 14.119 -0.964 0.256 1.00 53.11 O ATOM 0 H SER A 31 14.599 -2.622 2.400 1.00 21.21 H new ATOM 0 HA SER A 31 14.841 0.246 2.516 1.00 23.13 H new ATOM 0 HB2 SER A 31 12.616 -1.559 1.528 1.00 73.22 H new ATOM 0 HB3 SER A 31 12.736 0.170 1.273 1.00 73.22 H new ATOM 0 HG SER A 31 13.613 -1.494 -0.394 1.00 53.11 H new ATOM 476 N HIS A 32 13.854 0.424 4.803 1.00 22.52 N ATOM 477 CA HIS A 32 13.121 0.817 6.020 1.00 15.24 C ATOM 478 C HIS A 32 12.386 2.112 5.744 1.00 31.33 C ATOM 479 O HIS A 32 12.157 2.941 6.614 1.00 55.44 O ATOM 480 CB HIS A 32 14.062 0.934 7.255 1.00 44.51 C ATOM 481 CG HIS A 32 15.166 1.962 7.179 1.00 32.32 C ATOM 482 ND1 HIS A 32 16.455 1.645 6.837 1.00 3.04 N ATOM 483 CD2 HIS A 32 15.172 3.295 7.453 1.00 72.03 C ATOM 484 CE1 HIS A 32 17.204 2.726 6.903 1.00 0.13 C ATOM 485 NE2 HIS A 32 16.449 3.738 7.275 1.00 4.34 N ATOM 0 H HIS A 32 14.791 0.823 4.736 1.00 22.52 H new ATOM 0 HA HIS A 32 12.399 0.040 6.271 1.00 15.24 H new ATOM 0 HB2 HIS A 32 13.449 1.158 8.128 1.00 44.51 H new ATOM 0 HB3 HIS A 32 14.518 -0.041 7.428 1.00 44.51 H new ATOM 0 HD2 HIS A 32 14.323 3.891 7.755 1.00 72.03 H new ATOM 0 HE1 HIS A 32 18.261 2.774 6.688 1.00 0.13 H new ATOM 0 HE2 HIS A 32 16.768 4.698 7.408 1.00 4.34 H new ATOM 494 N MET A 33 11.996 2.240 4.529 1.00 43.22 N ATOM 495 CA MET A 33 11.289 3.352 4.054 1.00 25.52 C ATOM 496 C MET A 33 9.805 3.011 4.087 1.00 63.34 C ATOM 497 O MET A 33 9.441 1.845 3.880 1.00 11.24 O ATOM 498 CB MET A 33 11.756 3.600 2.657 1.00 41.11 C ATOM 499 CG MET A 33 11.185 4.798 2.033 1.00 64.14 C ATOM 500 SD MET A 33 11.793 5.026 0.396 1.00 64.20 S ATOM 501 CE MET A 33 11.003 6.535 0.091 1.00 74.52 C ATOM 0 H MET A 33 12.173 1.536 3.813 1.00 43.22 H new ATOM 0 HA MET A 33 11.454 4.245 4.656 1.00 25.52 H new ATOM 0 HB2 MET A 33 12.842 3.689 2.660 1.00 41.11 H new ATOM 0 HB3 MET A 33 11.509 2.733 2.045 1.00 41.11 H new ATOM 0 HG2 MET A 33 10.098 4.715 2.010 1.00 64.14 H new ATOM 0 HG3 MET A 33 11.425 5.673 2.637 1.00 64.14 H new ATOM 0 HE1 MET A 33 11.447 7.008 -0.785 1.00 74.52 H new ATOM 0 HE2 MET A 33 9.942 6.360 -0.090 1.00 74.52 H new ATOM 0 HE3 MET A 33 11.121 7.189 0.955 1.00 74.52 H new ATOM 511 N VAL A 34 8.953 3.992 4.333 1.00 32.51 N ATOM 512 CA VAL A 34 7.550 3.712 4.502 1.00 63.21 C ATOM 513 C VAL A 34 6.653 4.707 3.779 1.00 22.33 C ATOM 514 O VAL A 34 6.867 5.915 3.821 1.00 13.11 O ATOM 515 CB VAL A 34 7.159 3.589 6.021 1.00 63.21 C ATOM 516 CG1 VAL A 34 7.584 4.809 6.801 1.00 12.43 C ATOM 517 CG2 VAL A 34 5.678 3.403 6.193 1.00 11.44 C ATOM 0 H VAL A 34 9.210 4.975 4.418 1.00 32.51 H new ATOM 0 HA VAL A 34 7.379 2.743 4.032 1.00 63.21 H new ATOM 0 HB VAL A 34 7.682 2.713 6.405 1.00 63.21 H new ATOM 0 HG11 VAL A 34 7.298 4.690 7.846 1.00 12.43 H new ATOM 0 HG12 VAL A 34 8.665 4.927 6.731 1.00 12.43 H new ATOM 0 HG13 VAL A 34 7.096 5.692 6.389 1.00 12.43 H new ATOM 0 HG21 VAL A 34 5.442 3.322 7.254 1.00 11.44 H new ATOM 0 HG22 VAL A 34 5.152 4.259 5.769 1.00 11.44 H new ATOM 0 HG23 VAL A 34 5.364 2.494 5.681 1.00 11.44 H new ATOM 527 N PHE A 35 5.669 4.178 3.108 1.00 3.24 N ATOM 528 CA PHE A 35 4.687 4.965 2.418 1.00 34.33 C ATOM 529 C PHE A 35 3.301 4.738 2.962 1.00 63.25 C ATOM 530 O PHE A 35 2.982 3.656 3.455 1.00 60.34 O ATOM 531 CB PHE A 35 4.753 4.777 0.891 1.00 2.11 C ATOM 532 CG PHE A 35 5.086 3.398 0.438 1.00 70.22 C ATOM 533 CD1 PHE A 35 4.253 2.336 0.701 1.00 61.14 C ATOM 534 CD2 PHE A 35 6.258 3.172 -0.266 1.00 35.21 C ATOM 535 CE1 PHE A 35 4.579 1.073 0.285 1.00 31.34 C ATOM 536 CE2 PHE A 35 6.588 1.914 -0.687 1.00 70.42 C ATOM 537 CZ PHE A 35 5.750 0.858 -0.410 1.00 41.04 C ATOM 0 H PHE A 35 5.525 3.172 3.024 1.00 3.24 H new ATOM 0 HA PHE A 35 4.933 6.010 2.608 1.00 34.33 H new ATOM 0 HB2 PHE A 35 3.791 5.061 0.464 1.00 2.11 H new ATOM 0 HB3 PHE A 35 5.496 5.465 0.488 1.00 2.11 H new ATOM 0 HD1 PHE A 35 3.332 2.500 1.241 1.00 61.14 H new ATOM 0 HD2 PHE A 35 6.918 3.999 -0.484 1.00 35.21 H new ATOM 0 HE1 PHE A 35 3.919 0.246 0.501 1.00 31.34 H new ATOM 0 HE2 PHE A 35 7.504 1.749 -1.235 1.00 70.42 H new ATOM 0 HZ PHE A 35 6.010 -0.138 -0.737 1.00 41.04 H new ATOM 547 N ARG A 36 2.503 5.766 2.911 1.00 62.51 N ATOM 548 CA ARG A 36 1.141 5.709 3.359 1.00 40.21 C ATOM 549 C ARG A 36 0.262 5.484 2.174 1.00 4.34 C ATOM 550 O ARG A 36 0.024 6.403 1.393 1.00 74.31 O ATOM 551 CB ARG A 36 0.703 6.998 4.106 1.00 1.13 C ATOM 552 CG ARG A 36 1.346 7.241 5.481 1.00 13.44 C ATOM 553 CD ARG A 36 2.846 7.510 5.431 1.00 14.23 C ATOM 554 NE ARG A 36 3.398 7.638 6.789 1.00 43.43 N ATOM 555 CZ ARG A 36 4.611 8.114 7.129 1.00 22.05 C ATOM 556 NH1 ARG A 36 5.425 8.647 6.218 1.00 70.11 N ATOM 557 NH2 ARG A 36 4.986 8.078 8.399 1.00 1.34 N ATOM 0 H ARG A 36 2.784 6.679 2.553 1.00 62.51 H new ATOM 0 HA ARG A 36 1.052 4.889 4.072 1.00 40.21 H new ATOM 0 HB2 ARG A 36 0.924 7.854 3.469 1.00 1.13 H new ATOM 0 HB3 ARG A 36 -0.379 6.968 4.235 1.00 1.13 H new ATOM 0 HG2 ARG A 36 0.852 8.089 5.956 1.00 13.44 H new ATOM 0 HG3 ARG A 36 1.165 6.372 6.113 1.00 13.44 H new ATOM 0 HD2 ARG A 36 3.348 6.699 4.904 1.00 14.23 H new ATOM 0 HD3 ARG A 36 3.038 8.423 4.868 1.00 14.23 H new ATOM 0 HE ARG A 36 2.797 7.333 7.555 1.00 43.43 H new ATOM 0 HH11 ARG A 36 5.133 8.700 5.242 1.00 70.11 H new ATOM 0 HH12 ARG A 36 6.340 9.002 6.497 1.00 70.11 H new ATOM 0 HH21 ARG A 36 4.359 7.693 9.105 1.00 1.34 H new ATOM 0 HH22 ARG A 36 5.902 8.435 8.671 1.00 1.34 H new ATOM 571 N VAL A 37 -0.176 4.271 2.008 1.00 71.41 N ATOM 572 CA VAL A 37 -1.011 3.928 0.894 1.00 32.01 C ATOM 573 C VAL A 37 -2.458 4.125 1.288 1.00 41.15 C ATOM 574 O VAL A 37 -2.856 3.777 2.402 1.00 43.32 O ATOM 575 CB VAL A 37 -0.768 2.458 0.410 1.00 34.15 C ATOM 576 CG1 VAL A 37 0.696 2.258 0.076 1.00 74.14 C ATOM 577 CG2 VAL A 37 -1.212 1.428 1.448 1.00 31.10 C ATOM 0 H VAL A 37 0.033 3.495 2.636 1.00 71.41 H new ATOM 0 HA VAL A 37 -0.759 4.581 0.058 1.00 32.01 H new ATOM 0 HB VAL A 37 -1.374 2.304 -0.483 1.00 34.15 H new ATOM 0 HG11 VAL A 37 0.856 1.233 -0.260 1.00 74.14 H new ATOM 0 HG12 VAL A 37 0.986 2.949 -0.716 1.00 74.14 H new ATOM 0 HG13 VAL A 37 1.301 2.448 0.963 1.00 74.14 H new ATOM 0 HG21 VAL A 37 -1.024 0.424 1.068 1.00 31.10 H new ATOM 0 HG22 VAL A 37 -0.652 1.577 2.371 1.00 31.10 H new ATOM 0 HG23 VAL A 37 -2.277 1.547 1.646 1.00 31.10 H new ATOM 587 N GLU A 38 -3.235 4.712 0.433 1.00 73.15 N ATOM 588 CA GLU A 38 -4.604 4.925 0.761 1.00 31.34 C ATOM 589 C GLU A 38 -5.480 4.347 -0.325 1.00 14.52 C ATOM 590 O GLU A 38 -5.512 4.843 -1.461 1.00 52.02 O ATOM 591 CB GLU A 38 -4.886 6.398 0.964 1.00 24.42 C ATOM 592 CG GLU A 38 -6.247 6.673 1.548 1.00 73.15 C ATOM 593 CD GLU A 38 -6.518 8.141 1.657 1.00 41.50 C ATOM 594 OE1 GLU A 38 -6.087 8.759 2.654 1.00 43.43 O ATOM 595 OE2 GLU A 38 -7.143 8.703 0.747 1.00 31.10 O ATOM 0 H GLU A 38 -2.947 5.048 -0.486 1.00 73.15 H new ATOM 0 HA GLU A 38 -4.829 4.418 1.699 1.00 31.34 H new ATOM 0 HB2 GLU A 38 -4.125 6.818 1.622 1.00 24.42 H new ATOM 0 HB3 GLU A 38 -4.799 6.912 0.007 1.00 24.42 H new ATOM 0 HG2 GLU A 38 -7.011 6.208 0.925 1.00 73.15 H new ATOM 0 HG3 GLU A 38 -6.318 6.216 2.535 1.00 73.15 H new ATOM 602 N VAL A 39 -6.155 3.288 0.014 1.00 62.11 N ATOM 603 CA VAL A 39 -7.016 2.589 -0.913 1.00 34.23 C ATOM 604 C VAL A 39 -8.469 2.831 -0.526 1.00 2.52 C ATOM 605 O VAL A 39 -8.893 2.447 0.581 1.00 74.31 O ATOM 606 CB VAL A 39 -6.740 1.056 -0.881 1.00 4.35 C ATOM 607 CG1 VAL A 39 -7.600 0.304 -1.889 1.00 51.22 C ATOM 608 CG2 VAL A 39 -5.259 0.736 -1.079 1.00 11.25 C ATOM 0 H VAL A 39 -6.128 2.877 0.947 1.00 62.11 H new ATOM 0 HA VAL A 39 -6.817 2.963 -1.917 1.00 34.23 H new ATOM 0 HB VAL A 39 -7.019 0.711 0.115 1.00 4.35 H new ATOM 0 HG11 VAL A 39 -7.377 -0.762 -1.834 1.00 51.22 H new ATOM 0 HG12 VAL A 39 -8.653 0.466 -1.661 1.00 51.22 H new ATOM 0 HG13 VAL A 39 -7.386 0.669 -2.894 1.00 51.22 H new ATOM 0 HG21 VAL A 39 -5.113 -0.344 -1.049 1.00 11.25 H new ATOM 0 HG22 VAL A 39 -4.930 1.120 -2.044 1.00 11.25 H new ATOM 0 HG23 VAL A 39 -4.677 1.203 -0.285 1.00 11.25 H new ATOM 618 N LEU A 40 -9.212 3.487 -1.394 1.00 71.23 N ATOM 619 CA LEU A 40 -10.622 3.702 -1.166 1.00 43.33 C ATOM 620 C LEU A 40 -11.387 2.699 -1.983 1.00 51.21 C ATOM 621 O LEU A 40 -11.226 2.622 -3.206 1.00 22.23 O ATOM 622 CB LEU A 40 -11.026 5.153 -1.526 1.00 42.31 C ATOM 623 CG LEU A 40 -12.466 5.649 -1.163 1.00 74.13 C ATOM 624 CD1 LEU A 40 -12.552 7.134 -1.393 1.00 51.44 C ATOM 625 CD2 LEU A 40 -13.551 4.969 -2.003 1.00 44.35 C ATOM 0 H LEU A 40 -8.859 3.881 -2.266 1.00 71.23 H new ATOM 0 HA LEU A 40 -10.855 3.565 -0.110 1.00 43.33 H new ATOM 0 HB2 LEU A 40 -10.315 5.823 -1.042 1.00 42.31 H new ATOM 0 HB3 LEU A 40 -10.897 5.274 -2.602 1.00 42.31 H new ATOM 0 HG LEU A 40 -12.639 5.396 -0.117 1.00 74.13 H new ATOM 0 HD11 LEU A 40 -13.553 7.484 -1.141 1.00 51.44 H new ATOM 0 HD12 LEU A 40 -11.821 7.643 -0.764 1.00 51.44 H new ATOM 0 HD13 LEU A 40 -12.344 7.353 -2.440 1.00 51.44 H new ATOM 0 HD21 LEU A 40 -14.530 5.350 -1.710 1.00 44.35 H new ATOM 0 HD22 LEU A 40 -13.380 5.181 -3.058 1.00 44.35 H new ATOM 0 HD23 LEU A 40 -13.517 3.892 -1.839 1.00 44.35 H new ATOM 637 N CYS A 41 -12.204 1.943 -1.313 1.00 1.14 N ATOM 638 CA CYS A 41 -13.001 0.945 -1.935 1.00 21.35 C ATOM 639 C CYS A 41 -14.337 0.843 -1.230 1.00 72.23 C ATOM 640 O CYS A 41 -14.391 0.805 0.011 1.00 14.42 O ATOM 641 CB CYS A 41 -12.286 -0.393 -1.881 1.00 11.02 C ATOM 642 SG CYS A 41 -13.226 -1.747 -2.595 1.00 44.54 S ATOM 0 H CYS A 41 -12.333 2.008 -0.303 1.00 1.14 H new ATOM 0 HA CYS A 41 -13.167 1.218 -2.977 1.00 21.35 H new ATOM 0 HB2 CYS A 41 -11.334 -0.307 -2.406 1.00 11.02 H new ATOM 0 HB3 CYS A 41 -12.057 -0.630 -0.842 1.00 11.02 H new ATOM 0 HG CYS A 41 -12.409 -2.652 -3.046 1.00 44.54 H new ATOM 648 N SER A 42 -15.417 0.856 -2.019 1.00 12.41 N ATOM 649 CA SER A 42 -16.791 0.701 -1.523 1.00 13.51 C ATOM 650 C SER A 42 -17.196 1.856 -0.597 1.00 24.04 C ATOM 651 O SER A 42 -18.193 1.775 0.129 1.00 51.03 O ATOM 652 CB SER A 42 -16.961 -0.663 -0.835 1.00 40.14 C ATOM 653 OG SER A 42 -16.653 -1.723 -1.744 1.00 72.25 O ATOM 0 H SER A 42 -15.362 0.976 -3.030 1.00 12.41 H new ATOM 0 HA SER A 42 -17.464 0.736 -2.379 1.00 13.51 H new ATOM 0 HB2 SER A 42 -16.308 -0.722 0.036 1.00 40.14 H new ATOM 0 HB3 SER A 42 -17.984 -0.770 -0.475 1.00 40.14 H new ATOM 0 HG SER A 42 -15.701 -1.691 -1.973 1.00 72.25 H new ATOM 659 N GLY A 43 -16.442 2.935 -0.650 1.00 13.33 N ATOM 660 CA GLY A 43 -16.740 4.083 0.154 1.00 42.22 C ATOM 661 C GLY A 43 -15.720 4.320 1.239 1.00 3.12 C ATOM 662 O GLY A 43 -15.507 5.452 1.646 1.00 54.14 O ATOM 0 H GLY A 43 -15.619 3.033 -1.245 1.00 13.33 H new ATOM 0 HA2 GLY A 43 -16.794 4.964 -0.485 1.00 42.22 H new ATOM 0 HA3 GLY A 43 -17.723 3.957 0.608 1.00 42.22 H new ATOM 666 N ARG A 44 -15.072 3.269 1.694 1.00 74.13 N ATOM 667 CA ARG A 44 -14.109 3.403 2.777 1.00 72.32 C ATOM 668 C ARG A 44 -12.703 3.542 2.246 1.00 12.32 C ATOM 669 O ARG A 44 -12.290 2.798 1.351 1.00 3.30 O ATOM 670 CB ARG A 44 -14.186 2.226 3.754 1.00 14.51 C ATOM 671 CG ARG A 44 -15.539 2.066 4.416 1.00 62.22 C ATOM 672 CD ARG A 44 -15.536 0.959 5.452 1.00 31.24 C ATOM 673 NE ARG A 44 -15.200 -0.349 4.889 1.00 4.40 N ATOM 674 CZ ARG A 44 -15.192 -1.493 5.579 1.00 4.43 C ATOM 675 NH1 ARG A 44 -15.499 -1.495 6.870 1.00 64.41 N ATOM 676 NH2 ARG A 44 -14.884 -2.629 4.966 1.00 0.22 N ATOM 0 H ARG A 44 -15.189 2.320 1.339 1.00 74.13 H new ATOM 0 HA ARG A 44 -14.369 4.312 3.319 1.00 72.32 H new ATOM 0 HB2 ARG A 44 -13.942 1.307 3.221 1.00 14.51 H new ATOM 0 HB3 ARG A 44 -13.428 2.357 4.526 1.00 14.51 H new ATOM 0 HG2 ARG A 44 -15.824 3.005 4.890 1.00 62.22 H new ATOM 0 HG3 ARG A 44 -16.291 1.850 3.657 1.00 62.22 H new ATOM 0 HD2 ARG A 44 -14.821 1.205 6.237 1.00 31.24 H new ATOM 0 HD3 ARG A 44 -16.518 0.905 5.921 1.00 31.24 H new ATOM 0 HE ARG A 44 -14.955 -0.390 3.900 1.00 4.40 H new ATOM 0 HH11 ARG A 44 -15.742 -0.622 7.338 1.00 64.41 H new ATOM 0 HH12 ARG A 44 -15.492 -2.370 7.394 1.00 64.41 H new ATOM 0 HH21 ARG A 44 -14.655 -2.626 3.972 1.00 0.22 H new ATOM 0 HH22 ARG A 44 -14.877 -3.505 5.489 1.00 0.22 H new ATOM 690 N ARG A 45 -11.978 4.489 2.786 1.00 32.01 N ATOM 691 CA ARG A 45 -10.608 4.721 2.401 1.00 13.54 C ATOM 692 C ARG A 45 -9.679 4.414 3.543 1.00 50.13 C ATOM 693 O ARG A 45 -9.748 5.030 4.608 1.00 55.45 O ATOM 694 CB ARG A 45 -10.400 6.147 1.863 1.00 65.23 C ATOM 695 CG ARG A 45 -10.845 7.253 2.800 1.00 45.11 C ATOM 696 CD ARG A 45 -10.606 8.614 2.194 1.00 4.34 C ATOM 697 NE ARG A 45 -11.091 9.682 3.070 1.00 35.15 N ATOM 698 CZ ARG A 45 -11.090 10.979 2.769 1.00 45.24 C ATOM 699 NH1 ARG A 45 -10.604 11.401 1.600 1.00 70.32 N ATOM 700 NH2 ARG A 45 -11.587 11.845 3.633 1.00 62.11 N ATOM 0 H ARG A 45 -12.322 5.123 3.507 1.00 32.01 H new ATOM 0 HA ARG A 45 -10.370 4.041 1.583 1.00 13.54 H new ATOM 0 HB2 ARG A 45 -9.342 6.284 1.638 1.00 65.23 H new ATOM 0 HB3 ARG A 45 -10.941 6.248 0.922 1.00 65.23 H new ATOM 0 HG2 ARG A 45 -11.904 7.135 3.028 1.00 45.11 H new ATOM 0 HG3 ARG A 45 -10.305 7.173 3.743 1.00 45.11 H new ATOM 0 HD2 ARG A 45 -9.540 8.749 2.009 1.00 4.34 H new ATOM 0 HD3 ARG A 45 -11.108 8.677 1.229 1.00 4.34 H new ATOM 0 HE ARG A 45 -11.458 9.411 3.982 1.00 35.15 H new ATOM 0 HH11 ARG A 45 -10.230 10.728 0.930 1.00 70.32 H new ATOM 0 HH12 ARG A 45 -10.606 12.396 1.376 1.00 70.32 H new ATOM 0 HH21 ARG A 45 -11.967 11.518 4.521 1.00 62.11 H new ATOM 0 HH22 ARG A 45 -11.591 12.841 3.412 1.00 62.11 H new ATOM 714 N HIS A 46 -8.826 3.453 3.336 1.00 43.44 N ATOM 715 CA HIS A 46 -7.908 3.057 4.370 1.00 12.03 C ATOM 716 C HIS A 46 -6.510 3.536 4.086 1.00 43.44 C ATOM 717 O HIS A 46 -5.899 3.149 3.078 1.00 1.20 O ATOM 718 CB HIS A 46 -7.969 1.537 4.674 1.00 21.34 C ATOM 719 CG HIS A 46 -7.721 0.592 3.517 1.00 71.31 C ATOM 720 ND1 HIS A 46 -8.717 0.159 2.662 1.00 12.24 N ATOM 721 CD2 HIS A 46 -6.591 -0.046 3.113 1.00 35.44 C ATOM 722 CE1 HIS A 46 -8.214 -0.689 1.794 1.00 72.12 C ATOM 723 NE2 HIS A 46 -6.927 -0.836 2.041 1.00 42.12 N ATOM 0 H HIS A 46 -8.745 2.929 2.465 1.00 43.44 H new ATOM 0 HA HIS A 46 -8.231 3.553 5.285 1.00 12.03 H new ATOM 0 HB2 HIS A 46 -7.238 1.318 5.452 1.00 21.34 H new ATOM 0 HB3 HIS A 46 -8.952 1.314 5.088 1.00 21.34 H new ATOM 0 HD1 HIS A 46 -9.693 0.453 2.699 1.00 12.24 H new ATOM 0 HD2 HIS A 46 -5.610 0.050 3.554 1.00 35.44 H new ATOM 0 HE1 HIS A 46 -8.764 -1.184 1.007 1.00 72.12 H new ATOM 732 N THR A 47 -6.027 4.384 4.961 1.00 35.43 N ATOM 733 CA THR A 47 -4.715 4.961 4.860 1.00 12.24 C ATOM 734 C THR A 47 -3.761 4.115 5.711 1.00 32.04 C ATOM 735 O THR A 47 -3.828 4.136 6.946 1.00 15.44 O ATOM 736 CB THR A 47 -4.742 6.400 5.420 1.00 45.21 C ATOM 737 OG1 THR A 47 -5.889 7.110 4.881 1.00 11.41 O ATOM 738 CG2 THR A 47 -3.460 7.150 5.044 1.00 53.35 C ATOM 0 H THR A 47 -6.549 4.697 5.780 1.00 35.43 H new ATOM 0 HA THR A 47 -4.390 4.984 3.820 1.00 12.24 H new ATOM 0 HB THR A 47 -4.814 6.348 6.506 1.00 45.21 H new ATOM 0 HG1 THR A 47 -5.619 7.608 4.081 1.00 11.41 H new ATOM 0 HG21 THR A 47 -3.499 8.162 5.448 1.00 53.35 H new ATOM 0 HG22 THR A 47 -2.598 6.627 5.458 1.00 53.35 H new ATOM 0 HG23 THR A 47 -3.370 7.196 3.959 1.00 53.35 H new ATOM 746 N VAL A 48 -2.911 3.354 5.072 1.00 55.34 N ATOM 747 CA VAL A 48 -2.038 2.462 5.794 1.00 65.13 C ATOM 748 C VAL A 48 -0.560 2.760 5.510 1.00 53.30 C ATOM 749 O VAL A 48 -0.104 2.637 4.370 1.00 13.51 O ATOM 750 CB VAL A 48 -2.343 0.960 5.462 1.00 22.32 C ATOM 751 CG1 VAL A 48 -1.465 0.054 6.277 1.00 62.02 C ATOM 752 CG2 VAL A 48 -3.809 0.629 5.707 1.00 3.12 C ATOM 0 H VAL A 48 -2.804 3.333 4.058 1.00 55.34 H new ATOM 0 HA VAL A 48 -2.231 2.633 6.853 1.00 65.13 H new ATOM 0 HB VAL A 48 -2.131 0.801 4.405 1.00 22.32 H new ATOM 0 HG11 VAL A 48 -1.689 -0.985 6.035 1.00 62.02 H new ATOM 0 HG12 VAL A 48 -0.419 0.261 6.051 1.00 62.02 H new ATOM 0 HG13 VAL A 48 -1.649 0.227 7.337 1.00 62.02 H new ATOM 0 HG21 VAL A 48 -3.990 -0.419 5.468 1.00 3.12 H new ATOM 0 HG22 VAL A 48 -4.053 0.810 6.754 1.00 3.12 H new ATOM 0 HG23 VAL A 48 -4.435 1.259 5.075 1.00 3.12 H new ATOM 762 N PRO A 49 0.197 3.201 6.532 1.00 62.10 N ATOM 763 CA PRO A 49 1.638 3.381 6.414 1.00 42.51 C ATOM 764 C PRO A 49 2.322 2.024 6.447 1.00 44.43 C ATOM 765 O PRO A 49 2.228 1.296 7.450 1.00 43.02 O ATOM 766 CB PRO A 49 2.024 4.181 7.678 1.00 72.33 C ATOM 767 CG PRO A 49 0.729 4.583 8.316 1.00 55.54 C ATOM 768 CD PRO A 49 -0.289 3.577 7.868 1.00 23.45 C ATOM 0 HA PRO A 49 1.928 3.881 5.490 1.00 42.51 H new ATOM 0 HB2 PRO A 49 2.623 3.574 8.357 1.00 72.33 H new ATOM 0 HB3 PRO A 49 2.621 5.056 7.420 1.00 72.33 H new ATOM 0 HG2 PRO A 49 0.816 4.591 9.402 1.00 55.54 H new ATOM 0 HG3 PRO A 49 0.441 5.589 8.012 1.00 55.54 H new ATOM 0 HD2 PRO A 49 -0.334 2.719 8.539 1.00 23.45 H new ATOM 0 HD3 PRO A 49 -1.291 4.004 7.829 1.00 23.45 H new ATOM 776 N ARG A 50 2.983 1.658 5.381 1.00 44.02 N ATOM 777 CA ARG A 50 3.605 0.376 5.350 1.00 42.14 C ATOM 778 C ARG A 50 4.971 0.416 4.657 1.00 5.42 C ATOM 779 O ARG A 50 5.139 1.027 3.600 1.00 50.41 O ATOM 780 CB ARG A 50 2.630 -0.652 4.761 1.00 62.24 C ATOM 781 CG ARG A 50 3.060 -2.110 4.843 1.00 35.20 C ATOM 782 CD ARG A 50 3.532 -2.497 6.246 1.00 13.20 C ATOM 783 NE ARG A 50 2.650 -2.034 7.339 1.00 11.13 N ATOM 784 CZ ARG A 50 2.771 -2.434 8.630 1.00 31.22 C ATOM 785 NH1 ARG A 50 3.609 -3.421 8.959 1.00 31.15 N ATOM 786 NH2 ARG A 50 2.056 -1.840 9.585 1.00 55.12 N ATOM 0 H ARG A 50 3.100 2.223 4.540 1.00 44.02 H new ATOM 0 HA ARG A 50 3.830 0.057 6.368 1.00 42.14 H new ATOM 0 HB2 ARG A 50 1.673 -0.548 5.272 1.00 62.24 H new ATOM 0 HB3 ARG A 50 2.461 -0.403 3.713 1.00 62.24 H new ATOM 0 HG2 ARG A 50 2.226 -2.749 4.553 1.00 35.20 H new ATOM 0 HG3 ARG A 50 3.863 -2.290 4.129 1.00 35.20 H new ATOM 0 HD2 ARG A 50 3.618 -3.582 6.300 1.00 13.20 H new ATOM 0 HD3 ARG A 50 4.531 -2.090 6.405 1.00 13.20 H new ATOM 0 HE ARG A 50 1.906 -1.375 7.109 1.00 11.13 H new ATOM 0 HH11 ARG A 50 4.164 -3.880 8.237 1.00 31.15 H new ATOM 0 HH12 ARG A 50 3.694 -3.715 9.932 1.00 31.15 H new ATOM 0 HH21 ARG A 50 1.416 -1.083 9.346 1.00 55.12 H new ATOM 0 HH22 ARG A 50 2.149 -2.143 10.555 1.00 55.12 H new ATOM 800 N ARG A 51 5.941 -0.186 5.326 1.00 12.41 N ATOM 801 CA ARG A 51 7.329 -0.282 4.891 1.00 74.53 C ATOM 802 C ARG A 51 7.458 -0.992 3.531 1.00 44.23 C ATOM 803 O ARG A 51 6.795 -2.012 3.287 1.00 14.35 O ATOM 804 CB ARG A 51 8.114 -1.038 5.984 1.00 12.42 C ATOM 805 CG ARG A 51 9.553 -1.373 5.668 1.00 73.32 C ATOM 806 CD ARG A 51 10.218 -2.141 6.818 1.00 15.33 C ATOM 807 NE ARG A 51 9.470 -3.364 7.201 1.00 71.52 N ATOM 808 CZ ARG A 51 10.024 -4.542 7.569 1.00 33.02 C ATOM 809 NH1 ARG A 51 11.340 -4.736 7.470 1.00 21.03 N ATOM 810 NH2 ARG A 51 9.255 -5.523 8.017 1.00 25.43 N ATOM 0 H ARG A 51 5.778 -0.641 6.224 1.00 12.41 H new ATOM 0 HA ARG A 51 7.736 0.719 4.752 1.00 74.53 H new ATOM 0 HB2 ARG A 51 8.095 -0.439 6.894 1.00 12.42 H new ATOM 0 HB3 ARG A 51 7.587 -1.967 6.202 1.00 12.42 H new ATOM 0 HG2 ARG A 51 9.597 -1.970 4.757 1.00 73.32 H new ATOM 0 HG3 ARG A 51 10.107 -0.455 5.474 1.00 73.32 H new ATOM 0 HD2 ARG A 51 11.231 -2.417 6.526 1.00 15.33 H new ATOM 0 HD3 ARG A 51 10.303 -1.486 7.685 1.00 15.33 H new ATOM 0 HE ARG A 51 8.451 -3.312 7.185 1.00 71.52 H new ATOM 0 HH11 ARG A 51 11.940 -3.992 7.114 1.00 21.03 H new ATOM 0 HH12 ARG A 51 11.746 -5.628 7.751 1.00 21.03 H new ATOM 0 HH21 ARG A 51 8.246 -5.390 8.084 1.00 25.43 H new ATOM 0 HH22 ARG A 51 9.672 -6.412 8.295 1.00 25.43 H new ATOM 824 N TYR A 52 8.333 -0.452 2.656 1.00 23.11 N ATOM 825 CA TYR A 52 8.572 -1.018 1.308 1.00 31.03 C ATOM 826 C TYR A 52 8.938 -2.504 1.371 1.00 61.42 C ATOM 827 O TYR A 52 8.512 -3.290 0.523 1.00 11.53 O ATOM 828 CB TYR A 52 9.688 -0.243 0.527 1.00 71.45 C ATOM 829 CG TYR A 52 10.004 -0.894 -0.826 1.00 30.50 C ATOM 830 CD1 TYR A 52 10.924 -1.940 -0.917 1.00 0.33 C ATOM 831 CD2 TYR A 52 9.343 -0.510 -1.981 1.00 52.44 C ATOM 832 CE1 TYR A 52 11.166 -2.584 -2.098 1.00 40.13 C ATOM 833 CE2 TYR A 52 9.596 -1.153 -3.186 1.00 15.02 C ATOM 834 CZ TYR A 52 10.504 -2.196 -3.227 1.00 51.05 C ATOM 835 OH TYR A 52 10.738 -2.861 -4.404 1.00 73.44 O ATOM 0 H TYR A 52 8.889 0.379 2.859 1.00 23.11 H new ATOM 0 HA TYR A 52 7.631 -0.907 0.769 1.00 31.03 H new ATOM 0 HB2 TYR A 52 9.369 0.787 0.368 1.00 71.45 H new ATOM 0 HB3 TYR A 52 10.594 -0.206 1.132 1.00 71.45 H new ATOM 0 HD1 TYR A 52 11.459 -2.249 -0.031 1.00 0.33 H new ATOM 0 HD2 TYR A 52 8.625 0.296 -1.944 1.00 52.44 H new ATOM 0 HE1 TYR A 52 11.877 -3.396 -2.138 1.00 40.13 H new ATOM 0 HE2 TYR A 52 9.087 -0.841 -4.086 1.00 15.02 H new ATOM 0 HH TYR A 52 11.517 -2.470 -4.851 1.00 73.44 H new ATOM 845 N SER A 53 9.702 -2.872 2.387 1.00 34.44 N ATOM 846 CA SER A 53 10.188 -4.238 2.569 1.00 70.43 C ATOM 847 C SER A 53 9.010 -5.224 2.585 1.00 54.21 C ATOM 848 O SER A 53 9.084 -6.334 2.037 1.00 62.11 O ATOM 849 CB SER A 53 10.962 -4.294 3.909 1.00 52.33 C ATOM 850 OG SER A 53 11.501 -5.564 4.181 1.00 71.43 O ATOM 0 H SER A 53 10.007 -2.228 3.117 1.00 34.44 H new ATOM 0 HA SER A 53 10.845 -4.519 1.746 1.00 70.43 H new ATOM 0 HB2 SER A 53 11.768 -3.561 3.887 1.00 52.33 H new ATOM 0 HB3 SER A 53 10.293 -4.008 4.721 1.00 52.33 H new ATOM 0 HG SER A 53 12.385 -5.463 4.592 1.00 71.43 H new ATOM 856 N GLU A 54 7.931 -4.798 3.174 1.00 34.52 N ATOM 857 CA GLU A 54 6.748 -5.593 3.285 1.00 32.01 C ATOM 858 C GLU A 54 5.984 -5.661 1.953 1.00 53.01 C ATOM 859 O GLU A 54 5.530 -6.724 1.564 1.00 21.44 O ATOM 860 CB GLU A 54 5.934 -5.077 4.448 1.00 14.43 C ATOM 861 CG GLU A 54 6.720 -5.231 5.746 1.00 0.53 C ATOM 862 CD GLU A 54 6.131 -4.515 6.913 1.00 34.44 C ATOM 863 OE1 GLU A 54 5.151 -4.995 7.479 1.00 44.31 O ATOM 864 OE2 GLU A 54 6.661 -3.455 7.282 1.00 61.54 O ATOM 0 H GLU A 54 7.849 -3.873 3.597 1.00 34.52 H new ATOM 0 HA GLU A 54 7.002 -6.632 3.497 1.00 32.01 H new ATOM 0 HB2 GLU A 54 5.681 -4.029 4.289 1.00 14.43 H new ATOM 0 HB3 GLU A 54 4.994 -5.625 4.516 1.00 14.43 H new ATOM 0 HG2 GLU A 54 6.796 -6.291 5.987 1.00 0.53 H new ATOM 0 HG3 GLU A 54 7.735 -4.867 5.587 1.00 0.53 H new ATOM 871 N PHE A 55 5.887 -4.528 1.246 1.00 53.11 N ATOM 872 CA PHE A 55 5.262 -4.479 -0.082 1.00 21.41 C ATOM 873 C PHE A 55 6.016 -5.285 -1.111 1.00 31.44 C ATOM 874 O PHE A 55 5.412 -5.895 -1.998 1.00 20.02 O ATOM 875 CB PHE A 55 5.098 -3.047 -0.571 1.00 74.30 C ATOM 876 CG PHE A 55 3.816 -2.404 -0.166 1.00 40.35 C ATOM 877 CD1 PHE A 55 3.346 -2.475 1.128 1.00 32.31 C ATOM 878 CD2 PHE A 55 3.075 -1.722 -1.104 1.00 51.41 C ATOM 879 CE1 PHE A 55 2.154 -1.879 1.471 1.00 63.20 C ATOM 880 CE2 PHE A 55 1.893 -1.122 -0.769 1.00 41.12 C ATOM 881 CZ PHE A 55 1.428 -1.200 0.524 1.00 74.01 C ATOM 0 H PHE A 55 6.236 -3.627 1.574 1.00 53.11 H new ATOM 0 HA PHE A 55 4.276 -4.929 0.037 1.00 21.41 H new ATOM 0 HB2 PHE A 55 5.927 -2.449 -0.192 1.00 74.30 H new ATOM 0 HB3 PHE A 55 5.169 -3.036 -1.659 1.00 74.30 H new ATOM 0 HD1 PHE A 55 3.917 -3.002 1.878 1.00 32.31 H new ATOM 0 HD2 PHE A 55 3.433 -1.660 -2.121 1.00 51.41 H new ATOM 0 HE1 PHE A 55 1.789 -1.945 2.485 1.00 63.20 H new ATOM 0 HE2 PHE A 55 1.326 -0.588 -1.517 1.00 41.12 H new ATOM 0 HZ PHE A 55 0.494 -0.728 0.793 1.00 74.01 H new ATOM 891 N HIS A 56 7.327 -5.289 -1.015 1.00 62.33 N ATOM 892 CA HIS A 56 8.121 -6.053 -1.945 1.00 13.34 C ATOM 893 C HIS A 56 7.883 -7.545 -1.715 1.00 34.31 C ATOM 894 O HIS A 56 7.663 -8.289 -2.669 1.00 41.11 O ATOM 895 CB HIS A 56 9.611 -5.705 -1.841 1.00 4.11 C ATOM 896 CG HIS A 56 10.434 -6.360 -2.908 1.00 42.11 C ATOM 897 ND1 HIS A 56 11.336 -7.352 -2.660 1.00 70.04 N ATOM 898 CD2 HIS A 56 10.461 -6.159 -4.246 1.00 11.33 C ATOM 899 CE1 HIS A 56 11.881 -7.743 -3.786 1.00 12.41 C ATOM 900 NE2 HIS A 56 11.367 -7.035 -4.768 1.00 20.23 N ATOM 0 H HIS A 56 7.859 -4.778 -0.311 1.00 62.33 H new ATOM 0 HA HIS A 56 7.810 -5.796 -2.957 1.00 13.34 H new ATOM 0 HB2 HIS A 56 9.733 -4.624 -1.907 1.00 4.11 H new ATOM 0 HB3 HIS A 56 9.983 -6.009 -0.863 1.00 4.11 H new ATOM 0 HD1 HIS A 56 11.553 -7.732 -1.739 1.00 70.04 H new ATOM 0 HD2 HIS A 56 9.875 -5.439 -4.798 1.00 11.33 H new ATOM 0 HE1 HIS A 56 12.627 -8.517 -3.890 1.00 12.41 H new ATOM 909 N ALA A 57 7.890 -7.956 -0.447 1.00 72.14 N ATOM 910 CA ALA A 57 7.634 -9.350 -0.068 1.00 63.32 C ATOM 911 C ALA A 57 6.220 -9.761 -0.470 1.00 51.05 C ATOM 912 O ALA A 57 6.006 -10.853 -1.009 1.00 24.14 O ATOM 913 CB ALA A 57 7.831 -9.537 1.430 1.00 74.31 C ATOM 0 H ALA A 57 8.072 -7.338 0.344 1.00 72.14 H new ATOM 0 HA ALA A 57 8.344 -9.987 -0.595 1.00 63.32 H new ATOM 0 HB1 ALA A 57 7.637 -10.576 1.696 1.00 74.31 H new ATOM 0 HB2 ALA A 57 8.856 -9.279 1.697 1.00 74.31 H new ATOM 0 HB3 ALA A 57 7.141 -8.890 1.971 1.00 74.31 H new ATOM 919 N LEU A 58 5.284 -8.860 -0.223 1.00 35.24 N ATOM 920 CA LEU A 58 3.868 -9.011 -0.572 1.00 64.23 C ATOM 921 C LEU A 58 3.717 -9.276 -2.060 1.00 53.25 C ATOM 922 O LEU A 58 3.065 -10.233 -2.482 1.00 54.41 O ATOM 923 CB LEU A 58 3.188 -7.667 -0.242 1.00 61.11 C ATOM 924 CG LEU A 58 1.758 -7.423 -0.731 1.00 64.43 C ATOM 925 CD1 LEU A 58 0.761 -8.328 -0.056 1.00 23.24 C ATOM 926 CD2 LEU A 58 1.383 -5.963 -0.545 1.00 72.31 C ATOM 0 H LEU A 58 5.487 -7.974 0.240 1.00 35.24 H new ATOM 0 HA LEU A 58 3.426 -9.843 -0.024 1.00 64.23 H new ATOM 0 HB2 LEU A 58 3.190 -7.554 0.842 1.00 61.11 H new ATOM 0 HB3 LEU A 58 3.815 -6.872 -0.646 1.00 61.11 H new ATOM 0 HG LEU A 58 1.728 -7.663 -1.794 1.00 64.43 H new ATOM 0 HD11 LEU A 58 -0.238 -8.116 -0.436 1.00 23.24 H new ATOM 0 HD12 LEU A 58 1.015 -9.368 -0.262 1.00 23.24 H new ATOM 0 HD13 LEU A 58 0.783 -8.156 1.020 1.00 23.24 H new ATOM 0 HD21 LEU A 58 0.364 -5.802 -0.896 1.00 72.31 H new ATOM 0 HD22 LEU A 58 1.448 -5.702 0.511 1.00 72.31 H new ATOM 0 HD23 LEU A 58 2.067 -5.336 -1.116 1.00 72.31 H new ATOM 938 N HIS A 59 4.365 -8.448 -2.841 1.00 61.51 N ATOM 939 CA HIS A 59 4.262 -8.494 -4.273 1.00 53.23 C ATOM 940 C HIS A 59 4.938 -9.764 -4.822 1.00 63.13 C ATOM 941 O HIS A 59 4.485 -10.338 -5.802 1.00 32.05 O ATOM 942 CB HIS A 59 4.868 -7.213 -4.859 1.00 54.10 C ATOM 943 CG HIS A 59 4.538 -6.951 -6.289 1.00 33.31 C ATOM 944 ND1 HIS A 59 3.580 -6.033 -6.680 1.00 44.35 N ATOM 945 CD2 HIS A 59 5.062 -7.440 -7.420 1.00 14.40 C ATOM 946 CE1 HIS A 59 3.541 -5.978 -7.996 1.00 52.11 C ATOM 947 NE2 HIS A 59 4.428 -6.815 -8.463 1.00 3.21 N ATOM 0 H HIS A 59 4.985 -7.716 -2.494 1.00 61.51 H new ATOM 0 HA HIS A 59 3.215 -8.543 -4.572 1.00 53.23 H new ATOM 0 HB2 HIS A 59 4.530 -6.365 -4.264 1.00 54.10 H new ATOM 0 HB3 HIS A 59 5.952 -7.263 -4.756 1.00 54.10 H new ATOM 0 HD2 HIS A 59 5.838 -8.187 -7.496 1.00 14.40 H new ATOM 0 HE1 HIS A 59 2.889 -5.350 -8.586 1.00 52.11 H new ATOM 0 HE2 HIS A 59 4.620 -6.979 -9.451 1.00 3.21 H new ATOM 956 N LYS A 60 6.028 -10.175 -4.182 1.00 54.25 N ATOM 957 CA LYS A 60 6.750 -11.406 -4.541 1.00 61.31 C ATOM 958 C LYS A 60 5.894 -12.648 -4.337 1.00 22.22 C ATOM 959 O LYS A 60 5.944 -13.586 -5.140 1.00 5.32 O ATOM 960 CB LYS A 60 8.034 -11.537 -3.707 1.00 15.13 C ATOM 961 CG LYS A 60 9.168 -10.585 -4.080 1.00 41.21 C ATOM 962 CD LYS A 60 10.096 -11.149 -5.173 1.00 60.32 C ATOM 963 CE LYS A 60 9.416 -11.479 -6.503 1.00 2.53 C ATOM 964 NZ LYS A 60 10.393 -12.040 -7.471 1.00 31.01 N ATOM 0 H LYS A 60 6.441 -9.669 -3.399 1.00 54.25 H new ATOM 0 HA LYS A 60 7.000 -11.332 -5.599 1.00 61.31 H new ATOM 0 HB2 LYS A 60 7.782 -11.378 -2.659 1.00 15.13 H new ATOM 0 HB3 LYS A 60 8.400 -12.560 -3.796 1.00 15.13 H new ATOM 0 HG2 LYS A 60 8.744 -9.641 -4.423 1.00 41.21 H new ATOM 0 HG3 LYS A 60 9.757 -10.365 -3.190 1.00 41.21 H new ATOM 0 HD2 LYS A 60 10.891 -10.427 -5.360 1.00 60.32 H new ATOM 0 HD3 LYS A 60 10.570 -12.054 -4.792 1.00 60.32 H new ATOM 0 HE2 LYS A 60 8.610 -12.194 -6.337 1.00 2.53 H new ATOM 0 HE3 LYS A 60 8.962 -10.579 -6.918 1.00 2.53 H new ATOM 0 HZ1 LYS A 60 10.512 -11.380 -8.266 1.00 31.01 H new ATOM 0 HZ2 LYS A 60 11.308 -12.181 -6.998 1.00 31.01 H new ATOM 0 HZ3 LYS A 60 10.044 -12.952 -7.828 1.00 31.01 H new ATOM 978 N ARG A 61 5.112 -12.654 -3.279 1.00 45.02 N ATOM 979 CA ARG A 61 4.292 -13.805 -2.960 1.00 42.53 C ATOM 980 C ARG A 61 3.110 -13.914 -3.893 1.00 62.23 C ATOM 981 O ARG A 61 2.908 -14.957 -4.538 1.00 21.10 O ATOM 982 CB ARG A 61 3.831 -13.781 -1.500 1.00 12.20 C ATOM 983 CG ARG A 61 4.972 -13.820 -0.505 1.00 44.14 C ATOM 984 CD ARG A 61 4.486 -13.811 0.933 1.00 24.20 C ATOM 985 NE ARG A 61 3.671 -12.638 1.243 1.00 42.44 N ATOM 986 CZ ARG A 61 3.806 -11.857 2.313 1.00 52.12 C ATOM 987 NH1 ARG A 61 4.822 -12.036 3.167 1.00 3.15 N ATOM 988 NH2 ARG A 61 2.924 -10.885 2.515 1.00 13.13 N ATOM 0 H ARG A 61 5.026 -11.876 -2.625 1.00 45.02 H new ATOM 0 HA ARG A 61 4.913 -14.690 -3.098 1.00 42.53 H new ATOM 0 HB2 ARG A 61 3.241 -12.881 -1.329 1.00 12.20 H new ATOM 0 HB3 ARG A 61 3.174 -14.632 -1.321 1.00 12.20 H new ATOM 0 HG2 ARG A 61 5.571 -14.714 -0.678 1.00 44.14 H new ATOM 0 HG3 ARG A 61 5.624 -12.963 -0.671 1.00 44.14 H new ATOM 0 HD2 ARG A 61 3.904 -14.713 1.122 1.00 24.20 H new ATOM 0 HD3 ARG A 61 5.345 -13.840 1.603 1.00 24.20 H new ATOM 0 HE ARG A 61 2.934 -12.396 0.581 1.00 42.44 H new ATOM 0 HH11 ARG A 61 5.503 -12.777 3.001 1.00 3.15 H new ATOM 0 HH12 ARG A 61 4.915 -11.431 3.983 1.00 3.15 H new ATOM 0 HH21 ARG A 61 2.158 -10.746 1.856 1.00 13.13 H new ATOM 0 HH22 ARG A 61 3.012 -10.277 3.329 1.00 13.13 H new ATOM 1002 N ILE A 62 2.347 -12.842 -4.006 1.00 22.54 N ATOM 1003 CA ILE A 62 1.165 -12.856 -4.827 1.00 64.43 C ATOM 1004 C ILE A 62 1.431 -12.928 -6.314 1.00 51.23 C ATOM 1005 O ILE A 62 0.537 -13.293 -7.056 1.00 64.14 O ATOM 1006 CB ILE A 62 0.197 -11.705 -4.566 1.00 74.13 C ATOM 1007 CG1 ILE A 62 0.878 -10.345 -4.718 1.00 42.12 C ATOM 1008 CG2 ILE A 62 -0.491 -11.860 -3.223 1.00 71.52 C ATOM 1009 CD1 ILE A 62 -0.087 -9.198 -4.662 1.00 40.32 C ATOM 0 H ILE A 62 2.530 -11.955 -3.537 1.00 22.54 H new ATOM 0 HA ILE A 62 0.693 -13.787 -4.513 1.00 64.43 H new ATOM 0 HB ILE A 62 -0.580 -11.747 -5.329 1.00 74.13 H new ATOM 0 HG12 ILE A 62 1.621 -10.227 -3.929 1.00 42.12 H new ATOM 0 HG13 ILE A 62 1.413 -10.317 -5.667 1.00 42.12 H new ATOM 0 HG21 ILE A 62 -1.174 -11.025 -3.066 1.00 71.52 H new ATOM 0 HG22 ILE A 62 -1.051 -12.795 -3.207 1.00 71.52 H new ATOM 0 HG23 ILE A 62 0.257 -11.871 -2.430 1.00 71.52 H new ATOM 0 HD11 ILE A 62 0.456 -8.260 -4.776 1.00 40.32 H new ATOM 0 HD12 ILE A 62 -0.815 -9.296 -5.467 1.00 40.32 H new ATOM 0 HD13 ILE A 62 -0.604 -9.204 -3.702 1.00 40.32 H new ATOM 1021 N LYS A 63 2.639 -12.601 -6.776 1.00 51.11 N ATOM 1022 CA LYS A 63 2.884 -12.655 -8.225 1.00 13.41 C ATOM 1023 C LYS A 63 2.910 -14.101 -8.715 1.00 33.01 C ATOM 1024 O LYS A 63 2.748 -14.389 -9.903 1.00 45.31 O ATOM 1025 CB LYS A 63 4.125 -11.805 -8.668 1.00 40.12 C ATOM 1026 CG LYS A 63 5.531 -12.318 -8.280 1.00 30.31 C ATOM 1027 CD LYS A 63 5.998 -13.493 -9.153 1.00 54.34 C ATOM 1028 CE LYS A 63 6.056 -13.095 -10.636 1.00 10.32 C ATOM 1029 NZ LYS A 63 6.504 -14.199 -11.504 1.00 74.45 N ATOM 0 H LYS A 63 3.431 -12.309 -6.204 1.00 51.11 H new ATOM 0 HA LYS A 63 2.044 -12.173 -8.725 1.00 13.41 H new ATOM 0 HB2 LYS A 63 4.093 -11.707 -9.753 1.00 40.12 H new ATOM 0 HB3 LYS A 63 4.009 -10.803 -8.254 1.00 40.12 H new ATOM 0 HG2 LYS A 63 6.247 -11.501 -8.365 1.00 30.31 H new ATOM 0 HG3 LYS A 63 5.524 -12.628 -7.235 1.00 30.31 H new ATOM 0 HD2 LYS A 63 6.983 -13.825 -8.824 1.00 54.34 H new ATOM 0 HD3 LYS A 63 5.319 -14.336 -9.026 1.00 54.34 H new ATOM 0 HE2 LYS A 63 5.069 -12.763 -10.958 1.00 10.32 H new ATOM 0 HE3 LYS A 63 6.732 -12.248 -10.755 1.00 10.32 H new ATOM 0 HZ1 LYS A 63 6.525 -13.877 -12.493 1.00 74.45 H new ATOM 0 HZ2 LYS A 63 7.457 -14.501 -11.218 1.00 74.45 H new ATOM 0 HZ3 LYS A 63 5.846 -15.000 -11.415 1.00 74.45 H new ATOM 1043 N LYS A 64 3.116 -14.990 -7.773 1.00 61.52 N ATOM 1044 CA LYS A 64 3.068 -16.410 -8.003 1.00 72.14 C ATOM 1045 C LYS A 64 1.659 -16.944 -7.676 1.00 51.35 C ATOM 1046 O LYS A 64 1.314 -18.088 -7.987 1.00 0.11 O ATOM 1047 CB LYS A 64 4.116 -17.072 -7.119 1.00 45.24 C ATOM 1048 CG LYS A 64 4.178 -18.585 -7.220 1.00 2.42 C ATOM 1049 CD LYS A 64 5.285 -19.131 -6.366 1.00 41.34 C ATOM 1050 CE LYS A 64 6.662 -18.751 -6.897 1.00 75.01 C ATOM 1051 NZ LYS A 64 6.902 -19.307 -8.250 1.00 30.44 N ATOM 0 H LYS A 64 3.326 -14.739 -6.807 1.00 61.52 H new ATOM 0 HA LYS A 64 3.279 -16.635 -9.048 1.00 72.14 H new ATOM 0 HB2 LYS A 64 5.094 -16.666 -7.375 1.00 45.24 H new ATOM 0 HB3 LYS A 64 3.919 -16.800 -6.082 1.00 45.24 H new ATOM 0 HG2 LYS A 64 3.226 -19.014 -6.908 1.00 2.42 H new ATOM 0 HG3 LYS A 64 4.335 -18.879 -8.258 1.00 2.42 H new ATOM 0 HD2 LYS A 64 5.174 -18.758 -5.348 1.00 41.34 H new ATOM 0 HD3 LYS A 64 5.203 -20.217 -6.318 1.00 41.34 H new ATOM 0 HE2 LYS A 64 6.753 -17.665 -6.929 1.00 75.01 H new ATOM 0 HE3 LYS A 64 7.429 -19.115 -6.213 1.00 75.01 H new ATOM 0 HZ1 LYS A 64 7.920 -19.282 -8.460 1.00 30.44 H new ATOM 0 HZ2 LYS A 64 6.565 -20.290 -8.286 1.00 30.44 H new ATOM 0 HZ3 LYS A 64 6.390 -18.739 -8.955 1.00 30.44 H new ATOM 1065 N LEU A 65 0.849 -16.097 -7.079 1.00 52.31 N ATOM 1066 CA LEU A 65 -0.471 -16.480 -6.628 1.00 14.45 C ATOM 1067 C LEU A 65 -1.554 -16.033 -7.630 1.00 22.51 C ATOM 1068 O LEU A 65 -2.312 -16.867 -8.130 1.00 42.40 O ATOM 1069 CB LEU A 65 -0.706 -15.914 -5.198 1.00 54.11 C ATOM 1070 CG LEU A 65 -1.968 -16.356 -4.407 1.00 55.11 C ATOM 1071 CD1 LEU A 65 -1.831 -15.921 -2.967 1.00 73.21 C ATOM 1072 CD2 LEU A 65 -3.226 -15.729 -4.968 1.00 53.51 C ATOM 0 H LEU A 65 1.087 -15.123 -6.893 1.00 52.31 H new ATOM 0 HA LEU A 65 -0.541 -17.567 -6.578 1.00 14.45 H new ATOM 0 HB2 LEU A 65 0.166 -16.171 -4.596 1.00 54.11 H new ATOM 0 HB3 LEU A 65 -0.731 -14.827 -5.275 1.00 54.11 H new ATOM 0 HG LEU A 65 -2.047 -17.440 -4.488 1.00 55.11 H new ATOM 0 HD11 LEU A 65 -2.715 -16.229 -2.408 1.00 73.21 H new ATOM 0 HD12 LEU A 65 -0.946 -16.383 -2.530 1.00 73.21 H new ATOM 0 HD13 LEU A 65 -1.734 -14.836 -2.922 1.00 73.21 H new ATOM 0 HD21 LEU A 65 -4.088 -16.062 -4.389 1.00 53.51 H new ATOM 0 HD22 LEU A 65 -3.148 -14.643 -4.911 1.00 53.51 H new ATOM 0 HD23 LEU A 65 -3.350 -16.030 -6.008 1.00 53.51 H new ATOM 1084 N TYR A 66 -1.622 -14.733 -7.933 1.00 3.21 N ATOM 1085 CA TYR A 66 -2.669 -14.231 -8.818 1.00 14.03 C ATOM 1086 C TYR A 66 -2.078 -13.266 -9.849 1.00 72.21 C ATOM 1087 O TYR A 66 -0.854 -13.134 -9.923 1.00 41.13 O ATOM 1088 CB TYR A 66 -3.830 -13.578 -8.000 1.00 43.14 C ATOM 1089 CG TYR A 66 -3.643 -12.182 -7.445 1.00 62.22 C ATOM 1090 CD1 TYR A 66 -2.988 -11.972 -6.257 1.00 42.24 C ATOM 1091 CD2 TYR A 66 -4.192 -11.082 -8.096 1.00 33.31 C ATOM 1092 CE1 TYR A 66 -2.878 -10.713 -5.727 1.00 12.14 C ATOM 1093 CE2 TYR A 66 -4.073 -9.815 -7.573 1.00 70.43 C ATOM 1094 CZ TYR A 66 -3.415 -9.638 -6.387 1.00 22.22 C ATOM 1095 OH TYR A 66 -3.312 -8.384 -5.839 1.00 62.34 O ATOM 0 H TYR A 66 -0.977 -14.024 -7.585 1.00 3.21 H new ATOM 0 HA TYR A 66 -3.099 -15.072 -9.362 1.00 14.03 H new ATOM 0 HB2 TYR A 66 -4.714 -13.563 -8.638 1.00 43.14 H new ATOM 0 HB3 TYR A 66 -4.053 -14.238 -7.162 1.00 43.14 H new ATOM 0 HD1 TYR A 66 -2.553 -12.810 -5.733 1.00 42.24 H new ATOM 0 HD2 TYR A 66 -4.720 -11.225 -9.027 1.00 33.31 H new ATOM 0 HE1 TYR A 66 -2.367 -10.567 -4.787 1.00 12.14 H new ATOM 0 HE2 TYR A 66 -4.495 -8.968 -8.094 1.00 70.43 H new ATOM 0 HH TYR A 66 -3.923 -8.309 -5.076 1.00 62.34 H new ATOM 1105 N LYS A 67 -2.939 -12.626 -10.665 1.00 2.34 N ATOM 1106 CA LYS A 67 -2.477 -11.653 -11.676 1.00 44.40 C ATOM 1107 C LYS A 67 -1.780 -10.506 -11.026 1.00 11.32 C ATOM 1108 O LYS A 67 -2.393 -9.706 -10.323 1.00 4.20 O ATOM 1109 CB LYS A 67 -3.602 -11.088 -12.502 1.00 23.22 C ATOM 1110 CG LYS A 67 -4.422 -12.083 -13.239 1.00 34.45 C ATOM 1111 CD LYS A 67 -5.469 -11.370 -14.025 1.00 21.21 C ATOM 1112 CE LYS A 67 -6.496 -12.333 -14.583 1.00 22.53 C ATOM 1113 NZ LYS A 67 -7.243 -13.029 -13.505 1.00 13.43 N ATOM 0 H LYS A 67 -3.950 -12.763 -10.645 1.00 2.34 H new ATOM 0 HA LYS A 67 -1.801 -12.207 -12.328 1.00 44.40 H new ATOM 0 HB2 LYS A 67 -4.259 -10.517 -11.846 1.00 23.22 H new ATOM 0 HB3 LYS A 67 -3.182 -10.385 -13.222 1.00 23.22 H new ATOM 0 HG2 LYS A 67 -3.790 -12.672 -13.903 1.00 34.45 H new ATOM 0 HG3 LYS A 67 -4.886 -12.779 -12.540 1.00 34.45 H new ATOM 0 HD2 LYS A 67 -5.965 -10.635 -13.390 1.00 21.21 H new ATOM 0 HD3 LYS A 67 -5.001 -10.821 -14.842 1.00 21.21 H new ATOM 0 HE2 LYS A 67 -7.196 -11.790 -15.218 1.00 22.53 H new ATOM 0 HE3 LYS A 67 -5.998 -13.069 -15.214 1.00 22.53 H new ATOM 0 HZ1 LYS A 67 -8.118 -13.434 -13.895 1.00 13.43 H new ATOM 0 HZ2 LYS A 67 -6.654 -13.790 -13.111 1.00 13.43 H new ATOM 0 HZ3 LYS A 67 -7.481 -12.351 -12.753 1.00 13.43 H new ATOM 1127 N VAL A 68 -0.529 -10.427 -11.270 1.00 65.24 N ATOM 1128 CA VAL A 68 0.325 -9.413 -10.707 1.00 23.42 C ATOM 1129 C VAL A 68 1.396 -9.076 -11.739 1.00 13.44 C ATOM 1130 O VAL A 68 2.032 -9.991 -12.286 1.00 4.23 O ATOM 1131 CB VAL A 68 1.018 -9.928 -9.407 1.00 14.55 C ATOM 1132 CG1 VAL A 68 1.905 -8.881 -8.812 1.00 42.01 C ATOM 1133 CG2 VAL A 68 0.015 -10.395 -8.369 1.00 33.13 C ATOM 0 H VAL A 68 -0.040 -11.078 -11.884 1.00 65.24 H new ATOM 0 HA VAL A 68 -0.272 -8.537 -10.454 1.00 23.42 H new ATOM 0 HB VAL A 68 1.625 -10.784 -9.702 1.00 14.55 H new ATOM 0 HG11 VAL A 68 2.373 -9.271 -7.908 1.00 42.01 H new ATOM 0 HG12 VAL A 68 2.677 -8.607 -9.531 1.00 42.01 H new ATOM 0 HG13 VAL A 68 1.312 -8.001 -8.563 1.00 42.01 H new ATOM 0 HG21 VAL A 68 0.545 -10.744 -7.483 1.00 33.13 H new ATOM 0 HG22 VAL A 68 -0.640 -9.567 -8.098 1.00 33.13 H new ATOM 0 HG23 VAL A 68 -0.581 -11.210 -8.780 1.00 33.13 H new ATOM 1143 N PRO A 69 1.598 -7.788 -12.054 1.00 33.22 N ATOM 1144 CA PRO A 69 2.586 -7.383 -13.035 1.00 3.52 C ATOM 1145 C PRO A 69 4.005 -7.353 -12.467 1.00 35.43 C ATOM 1146 O PRO A 69 4.333 -6.484 -11.652 1.00 62.04 O ATOM 1147 CB PRO A 69 2.132 -5.986 -13.450 1.00 0.11 C ATOM 1148 CG PRO A 69 1.391 -5.443 -12.268 1.00 3.11 C ATOM 1149 CD PRO A 69 0.868 -6.629 -11.490 1.00 23.23 C ATOM 0 HA PRO A 69 2.640 -8.085 -13.867 1.00 3.52 H new ATOM 0 HB2 PRO A 69 2.984 -5.355 -13.704 1.00 0.11 H new ATOM 0 HB3 PRO A 69 1.491 -6.026 -14.331 1.00 0.11 H new ATOM 0 HG2 PRO A 69 2.049 -4.834 -11.647 1.00 3.11 H new ATOM 0 HG3 PRO A 69 0.571 -4.801 -12.589 1.00 3.11 H new ATOM 0 HD2 PRO A 69 1.059 -6.520 -10.422 1.00 23.23 H new ATOM 0 HD3 PRO A 69 -0.209 -6.740 -11.611 1.00 23.23 H new ATOM 1157 N ASP A 70 4.791 -8.374 -12.857 1.00 41.40 N ATOM 1158 CA ASP A 70 6.244 -8.551 -12.525 1.00 12.14 C ATOM 1159 C ASP A 70 6.521 -8.162 -11.047 1.00 70.25 C ATOM 1160 O ASP A 70 5.667 -8.384 -10.195 1.00 14.25 O ATOM 1161 CB ASP A 70 7.097 -7.734 -13.518 1.00 25.35 C ATOM 1162 CG ASP A 70 8.555 -8.173 -13.555 1.00 71.21 C ATOM 1163 OD1 ASP A 70 8.869 -9.192 -14.227 1.00 44.53 O ATOM 1164 OD2 ASP A 70 9.395 -7.519 -12.932 1.00 42.41 O ATOM 0 H ASP A 70 4.432 -9.134 -13.434 1.00 41.40 H new ATOM 0 HA ASP A 70 6.521 -9.600 -12.627 1.00 12.14 H new ATOM 0 HB2 ASP A 70 6.670 -7.827 -14.517 1.00 25.35 H new ATOM 0 HB3 ASP A 70 7.048 -6.679 -13.248 1.00 25.35 H new ATOM 1169 N PHE A 71 7.709 -7.682 -10.723 1.00 62.42 N ATOM 1170 CA PHE A 71 7.990 -7.202 -9.371 1.00 21.31 C ATOM 1171 C PHE A 71 8.735 -5.850 -9.417 1.00 51.04 C ATOM 1172 O PHE A 71 9.372 -5.542 -10.411 1.00 21.24 O ATOM 1173 CB PHE A 71 8.786 -8.242 -8.559 1.00 4.11 C ATOM 1174 CG PHE A 71 10.172 -8.498 -9.067 1.00 71.20 C ATOM 1175 CD1 PHE A 71 10.397 -9.390 -10.089 1.00 64.25 C ATOM 1176 CD2 PHE A 71 11.247 -7.829 -8.519 1.00 53.53 C ATOM 1177 CE1 PHE A 71 11.669 -9.614 -10.555 1.00 10.11 C ATOM 1178 CE2 PHE A 71 12.521 -8.048 -8.984 1.00 73.52 C ATOM 1179 CZ PHE A 71 12.732 -8.942 -10.000 1.00 10.32 C ATOM 0 H PHE A 71 8.494 -7.612 -11.370 1.00 62.42 H new ATOM 0 HA PHE A 71 7.036 -7.051 -8.865 1.00 21.31 H new ATOM 0 HB2 PHE A 71 8.848 -7.906 -7.524 1.00 4.11 H new ATOM 0 HB3 PHE A 71 8.234 -9.182 -8.556 1.00 4.11 H new ATOM 0 HD1 PHE A 71 9.565 -9.920 -10.529 1.00 64.25 H new ATOM 0 HD2 PHE A 71 11.085 -7.125 -7.716 1.00 53.53 H new ATOM 0 HE1 PHE A 71 11.834 -10.318 -11.357 1.00 10.11 H new ATOM 0 HE2 PHE A 71 13.355 -7.516 -8.549 1.00 73.52 H new ATOM 0 HZ PHE A 71 13.733 -9.119 -10.365 1.00 10.32 H new ATOM 1189 N PRO A 72 8.662 -5.022 -8.355 1.00 63.21 N ATOM 1190 CA PRO A 72 9.438 -3.780 -8.286 1.00 42.31 C ATOM 1191 C PRO A 72 10.888 -4.068 -7.838 1.00 52.21 C ATOM 1192 O PRO A 72 11.147 -5.079 -7.161 1.00 64.14 O ATOM 1193 CB PRO A 72 8.701 -2.948 -7.210 1.00 13.34 C ATOM 1194 CG PRO A 72 7.516 -3.772 -6.798 1.00 34.35 C ATOM 1195 CD PRO A 72 7.835 -5.188 -7.170 1.00 33.52 C ATOM 0 HA PRO A 72 9.507 -3.272 -9.248 1.00 42.31 H new ATOM 0 HB2 PRO A 72 9.351 -2.745 -6.359 1.00 13.34 H new ATOM 0 HB3 PRO A 72 8.387 -1.983 -7.609 1.00 13.34 H new ATOM 0 HG2 PRO A 72 7.335 -3.683 -5.727 1.00 34.35 H new ATOM 0 HG3 PRO A 72 6.612 -3.432 -7.303 1.00 34.35 H new ATOM 0 HD2 PRO A 72 8.367 -5.707 -6.373 1.00 33.52 H new ATOM 0 HD3 PRO A 72 6.935 -5.765 -7.381 1.00 33.52 H new ATOM 1203 N SER A 73 11.812 -3.197 -8.204 1.00 43.52 N ATOM 1204 CA SER A 73 13.217 -3.369 -7.851 1.00 75.52 C ATOM 1205 C SER A 73 13.392 -3.147 -6.351 1.00 64.23 C ATOM 1206 O SER A 73 12.989 -2.103 -5.829 1.00 55.33 O ATOM 1207 CB SER A 73 14.094 -2.377 -8.650 1.00 42.43 C ATOM 1208 OG SER A 73 15.482 -2.551 -8.356 1.00 0.50 O ATOM 0 H SER A 73 11.616 -2.357 -8.749 1.00 43.52 H new ATOM 0 HA SER A 73 13.532 -4.382 -8.102 1.00 75.52 H new ATOM 0 HB2 SER A 73 13.926 -2.520 -9.718 1.00 42.43 H new ATOM 0 HB3 SER A 73 13.796 -1.355 -8.414 1.00 42.43 H new ATOM 0 HG SER A 73 16.010 -1.911 -8.878 1.00 0.50 H new ATOM 1214 N LYS A 74 13.978 -4.114 -5.660 1.00 1.43 N ATOM 1215 CA LYS A 74 14.122 -4.019 -4.218 1.00 74.33 C ATOM 1216 C LYS A 74 15.255 -3.091 -3.848 1.00 32.30 C ATOM 1217 O LYS A 74 15.206 -2.420 -2.819 1.00 4.13 O ATOM 1218 CB LYS A 74 14.335 -5.404 -3.572 1.00 61.41 C ATOM 1219 CG LYS A 74 15.654 -6.092 -3.936 1.00 43.43 C ATOM 1220 CD LYS A 74 15.764 -7.501 -3.344 1.00 74.31 C ATOM 1221 CE LYS A 74 15.609 -7.524 -1.831 1.00 31.14 C ATOM 1222 NZ LYS A 74 15.774 -8.892 -1.288 1.00 43.34 N ATOM 0 H LYS A 74 14.358 -4.966 -6.072 1.00 1.43 H new ATOM 0 HA LYS A 74 13.191 -3.607 -3.829 1.00 74.33 H new ATOM 0 HB2 LYS A 74 14.287 -5.294 -2.489 1.00 61.41 H new ATOM 0 HB3 LYS A 74 13.511 -6.055 -3.863 1.00 61.41 H new ATOM 0 HG2 LYS A 74 15.743 -6.149 -5.021 1.00 43.43 H new ATOM 0 HG3 LYS A 74 16.487 -5.486 -3.580 1.00 43.43 H new ATOM 0 HD2 LYS A 74 15.001 -8.138 -3.792 1.00 74.31 H new ATOM 0 HD3 LYS A 74 16.731 -7.927 -3.611 1.00 74.31 H new ATOM 0 HE2 LYS A 74 16.346 -6.861 -1.379 1.00 31.14 H new ATOM 0 HE3 LYS A 74 14.626 -7.140 -1.559 1.00 31.14 H new ATOM 0 HZ1 LYS A 74 15.418 -8.923 -0.311 1.00 43.34 H new ATOM 0 HZ2 LYS A 74 15.239 -9.565 -1.873 1.00 43.34 H new ATOM 0 HZ3 LYS A 74 16.781 -9.150 -1.298 1.00 43.34 H new ATOM 1236 N ARG A 75 16.274 -3.037 -4.682 1.00 4.12 N ATOM 1237 CA ARG A 75 17.390 -2.221 -4.360 1.00 64.20 C ATOM 1238 C ARG A 75 17.267 -0.894 -5.043 1.00 21.40 C ATOM 1239 O ARG A 75 17.386 -0.779 -6.262 1.00 33.51 O ATOM 1240 CB ARG A 75 18.732 -2.936 -4.704 1.00 24.13 C ATOM 1241 CG ARG A 75 20.043 -2.256 -4.191 1.00 12.03 C ATOM 1242 CD ARG A 75 20.359 -0.909 -4.861 1.00 15.42 C ATOM 1243 NE ARG A 75 20.516 -1.049 -6.305 1.00 31.03 N ATOM 1244 CZ ARG A 75 20.636 -0.051 -7.187 1.00 50.41 C ATOM 1245 NH1 ARG A 75 20.665 1.225 -6.781 1.00 30.44 N ATOM 1246 NH2 ARG A 75 20.752 -0.335 -8.472 1.00 64.51 N ATOM 0 H ARG A 75 16.338 -3.543 -5.566 1.00 4.12 H new ATOM 0 HA ARG A 75 17.399 -2.046 -3.284 1.00 64.20 H new ATOM 0 HB2 ARG A 75 18.692 -3.947 -4.299 1.00 24.13 H new ATOM 0 HB3 ARG A 75 18.799 -3.030 -5.788 1.00 24.13 H new ATOM 0 HG2 ARG A 75 19.962 -2.103 -3.115 1.00 12.03 H new ATOM 0 HG3 ARG A 75 20.879 -2.935 -4.355 1.00 12.03 H new ATOM 0 HD2 ARG A 75 19.559 -0.200 -4.649 1.00 15.42 H new ATOM 0 HD3 ARG A 75 21.273 -0.495 -4.434 1.00 15.42 H new ATOM 0 HE ARG A 75 20.536 -1.999 -6.677 1.00 31.03 H new ATOM 0 HH11 ARG A 75 20.595 1.446 -5.788 1.00 30.44 H new ATOM 0 HH12 ARG A 75 20.757 1.976 -7.465 1.00 30.44 H new ATOM 0 HH21 ARG A 75 20.749 -1.307 -8.782 1.00 64.51 H new ATOM 0 HH22 ARG A 75 20.844 0.418 -9.154 1.00 64.51 H new ATOM 1260 N LEU A 76 16.986 0.071 -4.246 1.00 54.41 N ATOM 1261 CA LEU A 76 17.029 1.455 -4.571 1.00 41.21 C ATOM 1262 C LEU A 76 17.565 2.125 -3.336 1.00 0.20 C ATOM 1263 O LEU A 76 17.507 1.509 -2.255 1.00 25.34 O ATOM 1264 CB LEU A 76 15.638 2.028 -4.966 1.00 22.15 C ATOM 1265 CG LEU A 76 15.028 1.541 -6.299 1.00 73.52 C ATOM 1266 CD1 LEU A 76 13.687 2.213 -6.545 1.00 14.41 C ATOM 1267 CD2 LEU A 76 15.972 1.834 -7.463 1.00 71.31 C ATOM 0 H LEU A 76 16.699 -0.094 -3.281 1.00 54.41 H new ATOM 0 HA LEU A 76 17.654 1.630 -5.447 1.00 41.21 H new ATOM 0 HB2 LEU A 76 14.936 1.792 -4.167 1.00 22.15 H new ATOM 0 HB3 LEU A 76 15.719 3.114 -5.008 1.00 22.15 H new ATOM 0 HG LEU A 76 14.879 0.463 -6.230 1.00 73.52 H new ATOM 0 HD11 LEU A 76 13.270 1.859 -7.488 1.00 14.41 H new ATOM 0 HD12 LEU A 76 13.003 1.969 -5.732 1.00 14.41 H new ATOM 0 HD13 LEU A 76 13.824 3.293 -6.592 1.00 14.41 H new ATOM 0 HD21 LEU A 76 15.523 1.483 -8.392 1.00 71.31 H new ATOM 0 HD22 LEU A 76 16.148 2.908 -7.528 1.00 71.31 H new ATOM 0 HD23 LEU A 76 16.920 1.320 -7.301 1.00 71.31 H new ATOM 1279 N PRO A 77 18.124 3.339 -3.436 1.00 65.51 N ATOM 1280 CA PRO A 77 18.619 4.070 -2.259 1.00 11.04 C ATOM 1281 C PRO A 77 17.525 4.222 -1.195 1.00 22.32 C ATOM 1282 O PRO A 77 16.327 4.095 -1.502 1.00 11.11 O ATOM 1283 CB PRO A 77 18.986 5.444 -2.826 1.00 51.15 C ATOM 1284 CG PRO A 77 19.261 5.202 -4.266 1.00 62.20 C ATOM 1285 CD PRO A 77 18.341 4.094 -4.686 1.00 72.34 C ATOM 0 HA PRO A 77 19.449 3.558 -1.771 1.00 11.04 H new ATOM 0 HB2 PRO A 77 18.172 6.156 -2.694 1.00 51.15 H new ATOM 0 HB3 PRO A 77 19.858 5.859 -2.322 1.00 51.15 H new ATOM 0 HG2 PRO A 77 19.080 6.102 -4.854 1.00 62.20 H new ATOM 0 HG3 PRO A 77 20.303 4.923 -4.422 1.00 62.20 H new ATOM 0 HD2 PRO A 77 17.405 4.480 -5.090 1.00 72.34 H new ATOM 0 HD3 PRO A 77 18.789 3.471 -5.460 1.00 72.34 H new ATOM 1293 N ASN A 78 17.930 4.503 0.051 1.00 54.22 N ATOM 1294 CA ASN A 78 16.978 4.704 1.163 1.00 72.42 C ATOM 1295 C ASN A 78 16.010 5.848 0.842 1.00 32.05 C ATOM 1296 O ASN A 78 14.945 5.977 1.438 1.00 54.14 O ATOM 1297 CB ASN A 78 17.726 4.883 2.495 1.00 55.34 C ATOM 1298 CG ASN A 78 16.817 5.126 3.688 1.00 44.23 C ATOM 1299 OD1 ASN A 78 16.295 4.187 4.292 1.00 43.11 O ATOM 1300 ND2 ASN A 78 16.685 6.367 4.081 1.00 31.13 N ATOM 0 H ASN A 78 18.910 4.597 0.319 1.00 54.22 H new ATOM 0 HA ASN A 78 16.365 3.811 1.281 1.00 72.42 H new ATOM 0 HB2 ASN A 78 18.327 3.993 2.685 1.00 55.34 H new ATOM 0 HB3 ASN A 78 18.417 5.721 2.402 1.00 55.34 H new ATOM 0 HD21 ASN A 78 16.135 6.583 4.913 1.00 31.13 H new ATOM 0 HD22 ASN A 78 17.132 7.119 3.556 1.00 31.13 H new ATOM 1307 N TRP A 79 16.438 6.676 -0.105 1.00 11.13 N ATOM 1308 CA TRP A 79 15.617 7.646 -0.807 1.00 61.50 C ATOM 1309 C TRP A 79 15.348 8.908 0.016 1.00 34.22 C ATOM 1310 O TRP A 79 14.571 9.767 -0.381 1.00 3.23 O ATOM 1311 CB TRP A 79 14.320 6.978 -1.330 1.00 24.51 C ATOM 1312 CG TRP A 79 13.774 7.602 -2.570 1.00 42.12 C ATOM 1313 CD1 TRP A 79 13.001 8.707 -2.667 1.00 32.23 C ATOM 1314 CD2 TRP A 79 13.963 7.132 -3.908 1.00 71.52 C ATOM 1315 NE1 TRP A 79 12.721 8.964 -3.975 1.00 71.54 N ATOM 1316 CE2 TRP A 79 13.293 8.016 -4.753 1.00 45.40 C ATOM 1317 CE3 TRP A 79 14.645 6.053 -4.469 1.00 1.14 C ATOM 1318 CZ2 TRP A 79 13.276 7.866 -6.126 1.00 34.34 C ATOM 1319 CZ3 TRP A 79 14.629 5.898 -5.842 1.00 31.21 C ATOM 1320 CH2 TRP A 79 13.950 6.804 -6.658 1.00 32.41 C ATOM 0 H TRP A 79 17.410 6.687 -0.415 1.00 11.13 H new ATOM 0 HA TRP A 79 16.182 7.993 -1.672 1.00 61.50 H new ATOM 0 HB2 TRP A 79 14.519 5.924 -1.523 1.00 24.51 H new ATOM 0 HB3 TRP A 79 13.561 7.021 -0.549 1.00 24.51 H new ATOM 0 HD1 TRP A 79 12.657 9.298 -1.831 1.00 32.23 H new ATOM 0 HE1 TRP A 79 12.166 9.749 -4.315 1.00 71.54 H new ATOM 0 HE3 TRP A 79 15.176 5.352 -3.842 1.00 1.14 H new ATOM 0 HZ2 TRP A 79 12.748 8.565 -6.757 1.00 34.34 H new ATOM 0 HZ3 TRP A 79 15.149 5.064 -6.290 1.00 31.21 H new ATOM 0 HH2 TRP A 79 13.958 6.663 -7.729 1.00 32.41 H new ATOM 1331 N ARG A 80 16.020 9.046 1.134 1.00 61.21 N ATOM 1332 CA ARG A 80 15.916 10.277 1.915 1.00 63.23 C ATOM 1333 C ARG A 80 16.635 11.396 1.157 1.00 10.13 C ATOM 1334 O ARG A 80 16.293 12.566 1.265 1.00 24.15 O ATOM 1335 CB ARG A 80 16.478 10.099 3.347 1.00 31.04 C ATOM 1336 CG ARG A 80 16.503 11.377 4.190 1.00 14.03 C ATOM 1337 CD ARG A 80 15.115 11.986 4.411 1.00 63.21 C ATOM 1338 NE ARG A 80 14.236 11.177 5.282 1.00 61.12 N ATOM 1339 CZ ARG A 80 12.961 11.513 5.586 1.00 42.24 C ATOM 1340 NH1 ARG A 80 12.387 12.564 5.003 1.00 21.21 N ATOM 1341 NH2 ARG A 80 12.261 10.779 6.446 1.00 63.23 N ATOM 0 H ARG A 80 16.639 8.338 1.528 1.00 61.21 H new ATOM 0 HA ARG A 80 14.865 10.540 2.037 1.00 63.23 H new ATOM 0 HB2 ARG A 80 15.881 9.350 3.866 1.00 31.04 H new ATOM 0 HB3 ARG A 80 17.492 9.706 3.278 1.00 31.04 H new ATOM 0 HG2 ARG A 80 16.953 11.156 5.158 1.00 14.03 H new ATOM 0 HG3 ARG A 80 17.141 12.113 3.702 1.00 14.03 H new ATOM 0 HD2 ARG A 80 15.230 12.978 4.849 1.00 63.21 H new ATOM 0 HD3 ARG A 80 14.629 12.118 3.444 1.00 63.21 H new ATOM 0 HE ARG A 80 14.613 10.315 5.677 1.00 61.12 H new ATOM 0 HH11 ARG A 80 12.909 13.119 4.325 1.00 21.21 H new ATOM 0 HH12 ARG A 80 11.426 12.814 5.235 1.00 21.21 H new ATOM 0 HH21 ARG A 80 12.685 9.959 6.880 1.00 63.23 H new ATOM 0 HH22 ARG A 80 11.300 11.036 6.672 1.00 63.23 H new ATOM 1355 N THR A 81 17.608 10.996 0.377 1.00 31.52 N ATOM 1356 CA THR A 81 18.410 11.885 -0.432 1.00 22.55 C ATOM 1357 C THR A 81 17.591 12.436 -1.648 1.00 22.51 C ATOM 1358 O THR A 81 17.975 13.430 -2.273 1.00 2.31 O ATOM 1359 CB THR A 81 19.613 11.079 -0.960 1.00 50.41 C ATOM 1360 OG1 THR A 81 20.191 10.349 0.138 1.00 41.10 O ATOM 1361 CG2 THR A 81 20.676 11.988 -1.556 1.00 52.12 C ATOM 0 H THR A 81 17.873 10.015 0.283 1.00 31.52 H new ATOM 0 HA THR A 81 18.731 12.734 0.172 1.00 22.55 H new ATOM 0 HB THR A 81 19.262 10.406 -1.742 1.00 50.41 H new ATOM 0 HG1 THR A 81 20.958 9.829 -0.182 1.00 41.10 H new ATOM 0 HG21 THR A 81 21.509 11.385 -1.918 1.00 52.12 H new ATOM 0 HG22 THR A 81 20.249 12.552 -2.385 1.00 52.12 H new ATOM 0 HG23 THR A 81 21.033 12.679 -0.793 1.00 52.12 H new ATOM 1369 N ARG A 82 16.460 11.806 -1.953 1.00 2.01 N ATOM 1370 CA ARG A 82 15.685 12.179 -3.135 1.00 41.42 C ATOM 1371 C ARG A 82 14.255 12.552 -2.790 1.00 42.53 C ATOM 1372 O ARG A 82 13.857 12.577 -1.622 1.00 31.44 O ATOM 1373 CB ARG A 82 15.610 11.018 -4.118 1.00 61.45 C ATOM 1374 CG ARG A 82 16.914 10.500 -4.654 1.00 12.44 C ATOM 1375 CD ARG A 82 16.624 9.400 -5.643 1.00 34.33 C ATOM 1376 NE ARG A 82 17.814 8.819 -6.235 1.00 65.35 N ATOM 1377 CZ ARG A 82 17.863 8.314 -7.468 1.00 43.24 C ATOM 1378 NH1 ARG A 82 16.815 8.438 -8.281 1.00 53.41 N ATOM 1379 NH2 ARG A 82 18.962 7.713 -7.900 1.00 34.24 N ATOM 0 H ARG A 82 16.062 11.043 -1.406 1.00 2.01 H new ATOM 0 HA ARG A 82 16.198 13.037 -3.569 1.00 41.42 H new ATOM 0 HB2 ARG A 82 15.091 10.193 -3.630 1.00 61.45 H new ATOM 0 HB3 ARG A 82 14.994 11.327 -4.963 1.00 61.45 H new ATOM 0 HG2 ARG A 82 17.471 11.304 -5.135 1.00 12.44 H new ATOM 0 HG3 ARG A 82 17.535 10.124 -3.841 1.00 12.44 H new ATOM 0 HD2 ARG A 82 16.057 8.615 -5.143 1.00 34.33 H new ATOM 0 HD3 ARG A 82 15.990 9.795 -6.437 1.00 34.33 H new ATOM 0 HE ARG A 82 18.665 8.795 -5.674 1.00 65.35 H new ATOM 0 HH11 ARG A 82 15.975 8.919 -7.960 1.00 53.41 H new ATOM 0 HH12 ARG A 82 16.853 8.052 -9.224 1.00 53.41 H new ATOM 0 HH21 ARG A 82 19.775 7.635 -7.289 1.00 34.24 H new ATOM 0 HH22 ARG A 82 18.995 7.328 -8.844 1.00 34.24 H new ATOM 1393 N GLY A 83 13.499 12.848 -3.826 1.00 51.05 N ATOM 1394 CA GLY A 83 12.093 13.069 -3.707 1.00 40.12 C ATOM 1395 C GLY A 83 11.364 11.852 -4.224 1.00 14.00 C ATOM 1396 O GLY A 83 11.834 11.207 -5.152 1.00 44.42 O ATOM 0 H GLY A 83 13.856 12.940 -4.777 1.00 51.05 H new ATOM 0 HA2 GLY A 83 11.827 13.255 -2.666 1.00 40.12 H new ATOM 0 HA3 GLY A 83 11.801 13.953 -4.273 1.00 40.12 H new ATOM 1400 N LEU A 84 10.250 11.542 -3.642 1.00 35.33 N ATOM 1401 CA LEU A 84 9.459 10.338 -3.952 1.00 74.10 C ATOM 1402 C LEU A 84 8.947 10.115 -5.347 1.00 40.33 C ATOM 1403 O LEU A 84 8.524 8.997 -5.628 1.00 34.40 O ATOM 1404 CB LEU A 84 8.388 10.011 -2.941 1.00 60.40 C ATOM 1405 CG LEU A 84 8.795 9.048 -1.852 1.00 0.54 C ATOM 1406 CD1 LEU A 84 9.253 7.703 -2.458 1.00 63.12 C ATOM 1407 CD2 LEU A 84 9.846 9.662 -0.933 1.00 23.53 C ATOM 0 H LEU A 84 9.832 12.120 -2.913 1.00 35.33 H new ATOM 0 HA LEU A 84 10.275 9.620 -3.876 1.00 74.10 H new ATOM 0 HB2 LEU A 84 8.056 10.939 -2.476 1.00 60.40 H new ATOM 0 HB3 LEU A 84 7.530 9.594 -3.468 1.00 60.40 H new ATOM 0 HG LEU A 84 7.924 8.841 -1.230 1.00 0.54 H new ATOM 0 HD11 LEU A 84 9.542 7.023 -1.657 1.00 63.12 H new ATOM 0 HD12 LEU A 84 8.435 7.264 -3.029 1.00 63.12 H new ATOM 0 HD13 LEU A 84 10.105 7.872 -3.116 1.00 63.12 H new ATOM 0 HD21 LEU A 84 10.118 8.943 -0.160 1.00 23.53 H new ATOM 0 HD22 LEU A 84 10.731 9.921 -1.514 1.00 23.53 H new ATOM 0 HD23 LEU A 84 9.442 10.561 -0.467 1.00 23.53 H new ATOM 1419 N GLU A 85 8.993 11.101 -6.208 1.00 12.11 N ATOM 1420 CA GLU A 85 8.306 11.029 -7.507 1.00 65.34 C ATOM 1421 C GLU A 85 8.599 9.706 -8.270 1.00 24.42 C ATOM 1422 O GLU A 85 7.652 9.003 -8.657 1.00 25.55 O ATOM 1423 CB GLU A 85 8.701 12.235 -8.365 1.00 41.34 C ATOM 1424 CG GLU A 85 8.425 13.569 -7.689 1.00 43.12 C ATOM 1425 CD GLU A 85 8.781 14.751 -8.543 1.00 64.13 C ATOM 1426 OE1 GLU A 85 9.971 15.134 -8.588 1.00 60.51 O ATOM 1427 OE2 GLU A 85 7.876 15.331 -9.186 1.00 13.23 O ATOM 0 H GLU A 85 9.497 11.973 -6.047 1.00 12.11 H new ATOM 0 HA GLU A 85 7.234 11.046 -7.310 1.00 65.34 H new ATOM 0 HB2 GLU A 85 9.762 12.170 -8.605 1.00 41.34 H new ATOM 0 HB3 GLU A 85 8.158 12.194 -9.309 1.00 41.34 H new ATOM 0 HG2 GLU A 85 7.369 13.624 -7.427 1.00 43.12 H new ATOM 0 HG3 GLU A 85 8.988 13.620 -6.757 1.00 43.12 H new ATOM 1434 N GLN A 86 9.857 9.330 -8.414 1.00 25.51 N ATOM 1435 CA GLN A 86 10.184 8.079 -9.098 1.00 3.11 C ATOM 1436 C GLN A 86 9.793 6.816 -8.300 1.00 0.12 C ATOM 1437 O GLN A 86 9.123 5.924 -8.838 1.00 61.13 O ATOM 1438 CB GLN A 86 11.659 7.999 -9.520 1.00 45.42 C ATOM 1439 CG GLN A 86 12.067 8.991 -10.589 1.00 11.12 C ATOM 1440 CD GLN A 86 13.513 8.818 -11.030 1.00 13.34 C ATOM 1441 OE1 GLN A 86 14.383 8.413 -10.252 1.00 52.14 O ATOM 1442 NE2 GLN A 86 13.778 9.103 -12.279 1.00 24.31 N ATOM 0 H GLN A 86 10.661 9.858 -8.075 1.00 25.51 H new ATOM 0 HA GLN A 86 9.570 8.098 -9.999 1.00 3.11 H new ATOM 0 HB2 GLN A 86 12.283 8.156 -8.640 1.00 45.42 H new ATOM 0 HB3 GLN A 86 11.865 6.991 -9.881 1.00 45.42 H new ATOM 0 HG2 GLN A 86 11.412 8.878 -11.453 1.00 11.12 H new ATOM 0 HG3 GLN A 86 11.925 10.004 -10.212 1.00 11.12 H new ATOM 0 HE21 GLN A 86 13.036 9.435 -12.895 1.00 24.31 H new ATOM 0 HE22 GLN A 86 14.727 8.993 -12.637 1.00 24.31 H new ATOM 1451 N ARG A 87 10.186 6.738 -7.024 1.00 22.14 N ATOM 1452 CA ARG A 87 9.973 5.492 -6.267 1.00 75.24 C ATOM 1453 C ARG A 87 8.498 5.284 -5.916 1.00 20.54 C ATOM 1454 O ARG A 87 7.976 4.170 -6.048 1.00 1.23 O ATOM 1455 CB ARG A 87 10.854 5.409 -5.017 1.00 72.34 C ATOM 1456 CG ARG A 87 10.922 4.004 -4.431 1.00 33.24 C ATOM 1457 CD ARG A 87 11.868 3.920 -3.236 1.00 43.34 C ATOM 1458 NE ARG A 87 12.160 2.524 -2.871 1.00 33.40 N ATOM 1459 CZ ARG A 87 13.048 2.125 -1.939 1.00 14.53 C ATOM 1460 NH1 ARG A 87 13.631 3.005 -1.142 1.00 31.50 N ATOM 1461 NH2 ARG A 87 13.327 0.835 -1.808 1.00 22.41 N ATOM 0 H ARG A 87 10.638 7.491 -6.505 1.00 22.14 H new ATOM 0 HA ARG A 87 10.276 4.679 -6.927 1.00 75.24 H new ATOM 0 HB2 ARG A 87 11.861 5.742 -5.266 1.00 72.34 H new ATOM 0 HB3 ARG A 87 10.469 6.094 -4.261 1.00 72.34 H new ATOM 0 HG2 ARG A 87 9.924 3.692 -4.124 1.00 33.24 H new ATOM 0 HG3 ARG A 87 11.251 3.307 -5.202 1.00 33.24 H new ATOM 0 HD2 ARG A 87 12.798 4.437 -3.471 1.00 43.34 H new ATOM 0 HD3 ARG A 87 11.424 4.434 -2.383 1.00 43.34 H new ATOM 0 HE ARG A 87 11.646 1.796 -3.366 1.00 33.40 H new ATOM 0 HH11 ARG A 87 13.410 3.997 -1.229 1.00 31.50 H new ATOM 0 HH12 ARG A 87 14.302 2.692 -0.440 1.00 31.50 H new ATOM 0 HH21 ARG A 87 12.870 0.151 -2.411 1.00 22.41 H new ATOM 0 HH22 ARG A 87 13.998 0.527 -1.104 1.00 22.41 H new ATOM 1475 N ARG A 88 7.829 6.356 -5.474 1.00 41.14 N ATOM 1476 CA ARG A 88 6.403 6.307 -5.176 1.00 23.01 C ATOM 1477 C ARG A 88 5.646 5.859 -6.402 1.00 53.15 C ATOM 1478 O ARG A 88 4.760 5.032 -6.304 1.00 55.14 O ATOM 1479 CB ARG A 88 5.863 7.677 -4.737 1.00 31.22 C ATOM 1480 CG ARG A 88 4.369 7.672 -4.420 1.00 14.53 C ATOM 1481 CD ARG A 88 3.822 9.076 -4.199 1.00 24.51 C ATOM 1482 NE ARG A 88 3.989 9.922 -5.396 1.00 40.33 N ATOM 1483 CZ ARG A 88 3.097 10.021 -6.400 1.00 11.15 C ATOM 1484 NH1 ARG A 88 1.963 9.302 -6.377 1.00 34.01 N ATOM 1485 NH2 ARG A 88 3.343 10.846 -7.425 1.00 5.54 N ATOM 0 H ARG A 88 8.259 7.267 -5.316 1.00 41.14 H new ATOM 0 HA ARG A 88 6.263 5.603 -4.356 1.00 23.01 H new ATOM 0 HB2 ARG A 88 6.412 8.009 -3.856 1.00 31.22 H new ATOM 0 HB3 ARG A 88 6.056 8.404 -5.526 1.00 31.22 H new ATOM 0 HG2 ARG A 88 3.827 7.198 -5.239 1.00 14.53 H new ATOM 0 HG3 ARG A 88 4.191 7.070 -3.529 1.00 14.53 H new ATOM 0 HD2 ARG A 88 2.765 9.018 -3.939 1.00 24.51 H new ATOM 0 HD3 ARG A 88 4.333 9.537 -3.354 1.00 24.51 H new ATOM 0 HE ARG A 88 4.844 10.473 -5.469 1.00 40.33 H new ATOM 0 HH11 ARG A 88 1.772 8.675 -5.595 1.00 34.01 H new ATOM 0 HH12 ARG A 88 1.292 9.383 -7.141 1.00 34.01 H new ATOM 0 HH21 ARG A 88 4.202 11.395 -7.443 1.00 5.54 H new ATOM 0 HH22 ARG A 88 2.671 10.925 -8.188 1.00 5.54 H new ATOM 1499 N GLN A 89 6.035 6.395 -7.576 1.00 31.10 N ATOM 1500 CA GLN A 89 5.366 6.054 -8.825 1.00 63.33 C ATOM 1501 C GLN A 89 5.496 4.561 -9.109 1.00 62.01 C ATOM 1502 O GLN A 89 4.583 3.949 -9.650 1.00 63.11 O ATOM 1503 CB GLN A 89 5.924 6.871 -9.988 1.00 64.00 C ATOM 1504 CG GLN A 89 5.201 6.653 -11.306 1.00 3.32 C ATOM 1505 CD GLN A 89 5.780 7.479 -12.427 1.00 24.32 C ATOM 1506 OE1 GLN A 89 5.364 8.612 -12.660 1.00 65.35 O ATOM 1507 NE2 GLN A 89 6.727 6.934 -13.126 1.00 40.04 N ATOM 0 H GLN A 89 6.803 7.059 -7.675 1.00 31.10 H new ATOM 0 HA GLN A 89 4.309 6.298 -8.719 1.00 63.33 H new ATOM 0 HB2 GLN A 89 5.875 7.929 -9.730 1.00 64.00 H new ATOM 0 HB3 GLN A 89 6.977 6.623 -10.119 1.00 64.00 H new ATOM 0 HG2 GLN A 89 5.251 5.598 -11.574 1.00 3.32 H new ATOM 0 HG3 GLN A 89 4.147 6.901 -11.184 1.00 3.32 H new ATOM 0 HE21 GLN A 89 7.047 5.991 -12.904 1.00 40.04 H new ATOM 0 HE22 GLN A 89 7.152 7.448 -13.898 1.00 40.04 H new ATOM 1516 N GLY A 90 6.628 3.983 -8.715 1.00 1.14 N ATOM 1517 CA GLY A 90 6.829 2.562 -8.890 1.00 4.41 C ATOM 1518 C GLY A 90 5.786 1.751 -8.138 1.00 30.44 C ATOM 1519 O GLY A 90 5.112 0.909 -8.721 1.00 41.02 O ATOM 0 H GLY A 90 7.407 4.476 -8.278 1.00 1.14 H new ATOM 0 HA2 GLY A 90 6.786 2.316 -9.951 1.00 4.41 H new ATOM 0 HA3 GLY A 90 7.824 2.289 -8.540 1.00 4.41 H new ATOM 1523 N LEU A 91 5.609 2.034 -6.862 1.00 13.43 N ATOM 1524 CA LEU A 91 4.604 1.308 -6.078 1.00 30.10 C ATOM 1525 C LEU A 91 3.209 1.684 -6.503 1.00 5.11 C ATOM 1526 O LEU A 91 2.336 0.826 -6.604 1.00 31.45 O ATOM 1527 CB LEU A 91 4.764 1.481 -4.553 1.00 61.01 C ATOM 1528 CG LEU A 91 5.982 0.825 -3.886 1.00 64.21 C ATOM 1529 CD1 LEU A 91 6.024 -0.674 -4.152 1.00 34.55 C ATOM 1530 CD2 LEU A 91 7.275 1.494 -4.292 1.00 0.41 C ATOM 0 H LEU A 91 6.130 2.743 -6.347 1.00 13.43 H new ATOM 0 HA LEU A 91 4.773 0.252 -6.289 1.00 30.10 H new ATOM 0 HB2 LEU A 91 4.798 2.549 -4.338 1.00 61.01 H new ATOM 0 HB3 LEU A 91 3.867 1.088 -4.075 1.00 61.01 H new ATOM 0 HG LEU A 91 5.872 0.965 -2.811 1.00 64.21 H new ATOM 0 HD11 LEU A 91 6.899 -1.106 -3.665 1.00 34.55 H new ATOM 0 HD12 LEU A 91 5.122 -1.139 -3.755 1.00 34.55 H new ATOM 0 HD13 LEU A 91 6.082 -0.851 -5.226 1.00 34.55 H new ATOM 0 HD21 LEU A 91 8.111 0.999 -3.798 1.00 0.41 H new ATOM 0 HD22 LEU A 91 7.398 1.422 -5.373 1.00 0.41 H new ATOM 0 HD23 LEU A 91 7.249 2.543 -3.999 1.00 0.41 H new ATOM 1542 N GLU A 92 3.021 2.963 -6.788 1.00 12.02 N ATOM 1543 CA GLU A 92 1.742 3.505 -7.218 1.00 4.24 C ATOM 1544 C GLU A 92 1.272 2.749 -8.477 1.00 4.45 C ATOM 1545 O GLU A 92 0.106 2.437 -8.621 1.00 32.21 O ATOM 1546 CB GLU A 92 1.921 5.008 -7.533 1.00 70.50 C ATOM 1547 CG GLU A 92 0.645 5.800 -7.777 1.00 20.03 C ATOM 1548 CD GLU A 92 -0.214 5.962 -6.533 1.00 73.24 C ATOM 1549 OE1 GLU A 92 -1.074 5.107 -6.283 1.00 45.43 O ATOM 1550 OE2 GLU A 92 -0.044 6.982 -5.811 1.00 22.22 O ATOM 0 H GLU A 92 3.761 3.662 -6.726 1.00 12.02 H new ATOM 0 HA GLU A 92 0.994 3.387 -6.434 1.00 4.24 H new ATOM 0 HB2 GLU A 92 2.458 5.470 -6.705 1.00 70.50 H new ATOM 0 HB3 GLU A 92 2.555 5.100 -8.415 1.00 70.50 H new ATOM 0 HG2 GLU A 92 0.906 6.787 -8.160 1.00 20.03 H new ATOM 0 HG3 GLU A 92 0.060 5.303 -8.551 1.00 20.03 H new ATOM 1557 N ALA A 93 2.211 2.436 -9.362 1.00 74.30 N ATOM 1558 CA ALA A 93 1.909 1.718 -10.592 1.00 64.43 C ATOM 1559 C ALA A 93 1.652 0.227 -10.345 1.00 14.52 C ATOM 1560 O ALA A 93 0.640 -0.311 -10.786 1.00 50.13 O ATOM 1561 CB ALA A 93 3.034 1.896 -11.605 1.00 12.50 C ATOM 0 H ALA A 93 3.197 2.671 -9.248 1.00 74.30 H new ATOM 0 HA ALA A 93 0.991 2.146 -10.995 1.00 64.43 H new ATOM 0 HB1 ALA A 93 2.791 1.352 -12.518 1.00 12.50 H new ATOM 0 HB2 ALA A 93 3.153 2.955 -11.834 1.00 12.50 H new ATOM 0 HB3 ALA A 93 3.964 1.508 -11.188 1.00 12.50 H new ATOM 1567 N TYR A 94 2.554 -0.435 -9.624 1.00 24.23 N ATOM 1568 CA TYR A 94 2.417 -1.876 -9.380 1.00 14.41 C ATOM 1569 C TYR A 94 1.220 -2.224 -8.502 1.00 0.02 C ATOM 1570 O TYR A 94 0.488 -3.187 -8.793 1.00 62.41 O ATOM 1571 CB TYR A 94 3.702 -2.505 -8.811 1.00 2.41 C ATOM 1572 CG TYR A 94 4.862 -2.622 -9.801 1.00 51.13 C ATOM 1573 CD1 TYR A 94 5.607 -1.522 -10.192 1.00 31.45 C ATOM 1574 CD2 TYR A 94 5.203 -3.852 -10.338 1.00 44.20 C ATOM 1575 CE1 TYR A 94 6.650 -1.641 -11.088 1.00 32.10 C ATOM 1576 CE2 TYR A 94 6.243 -3.981 -11.231 1.00 41.52 C ATOM 1577 CZ TYR A 94 6.963 -2.875 -11.604 1.00 30.10 C ATOM 1578 OH TYR A 94 7.995 -3.004 -12.504 1.00 21.33 O ATOM 0 H TYR A 94 3.378 -0.007 -9.202 1.00 24.23 H new ATOM 0 HA TYR A 94 2.237 -2.311 -10.363 1.00 14.41 H new ATOM 0 HB2 TYR A 94 4.031 -1.911 -7.958 1.00 2.41 H new ATOM 0 HB3 TYR A 94 3.465 -3.500 -8.434 1.00 2.41 H new ATOM 0 HD1 TYR A 94 5.367 -0.550 -9.787 1.00 31.45 H new ATOM 0 HD2 TYR A 94 4.641 -4.728 -10.050 1.00 44.20 H new ATOM 0 HE1 TYR A 94 7.216 -0.770 -11.382 1.00 32.10 H new ATOM 0 HE2 TYR A 94 6.491 -4.951 -11.637 1.00 41.52 H new ATOM 0 HH TYR A 94 8.083 -3.944 -12.768 1.00 21.33 H new ATOM 1588 N ILE A 95 1.015 -1.467 -7.439 1.00 21.24 N ATOM 1589 CA ILE A 95 -0.085 -1.746 -6.538 1.00 55.32 C ATOM 1590 C ILE A 95 -1.425 -1.397 -7.220 1.00 30.31 C ATOM 1591 O ILE A 95 -2.392 -2.135 -7.097 1.00 40.23 O ATOM 1592 CB ILE A 95 0.068 -1.034 -5.149 1.00 31.33 C ATOM 1593 CG1 ILE A 95 1.457 -1.347 -4.520 1.00 50.14 C ATOM 1594 CG2 ILE A 95 -1.038 -1.488 -4.183 1.00 23.02 C ATOM 1595 CD1 ILE A 95 1.724 -2.823 -4.216 1.00 54.21 C ATOM 0 H ILE A 95 1.589 -0.664 -7.182 1.00 21.24 H new ATOM 0 HA ILE A 95 -0.071 -2.814 -6.320 1.00 55.32 H new ATOM 0 HB ILE A 95 -0.017 0.040 -5.315 1.00 31.33 H new ATOM 0 HG12 ILE A 95 2.232 -0.987 -5.196 1.00 50.14 H new ATOM 0 HG13 ILE A 95 1.553 -0.780 -3.594 1.00 50.14 H new ATOM 0 HG21 ILE A 95 -0.914 -0.983 -3.225 1.00 23.02 H new ATOM 0 HG22 ILE A 95 -2.013 -1.238 -4.602 1.00 23.02 H new ATOM 0 HG23 ILE A 95 -0.973 -2.566 -4.036 1.00 23.02 H new ATOM 0 HD11 ILE A 95 2.718 -2.931 -3.781 1.00 54.21 H new ATOM 0 HD12 ILE A 95 0.978 -3.190 -3.512 1.00 54.21 H new ATOM 0 HD13 ILE A 95 1.667 -3.401 -5.139 1.00 54.21 H new ATOM 1607 N GLN A 96 -1.464 -0.284 -7.980 1.00 43.31 N ATOM 1608 CA GLN A 96 -2.682 0.070 -8.730 1.00 72.20 C ATOM 1609 C GLN A 96 -2.958 -0.959 -9.809 1.00 12.23 C ATOM 1610 O GLN A 96 -4.113 -1.234 -10.141 1.00 52.12 O ATOM 1611 CB GLN A 96 -2.580 1.454 -9.354 1.00 12.42 C ATOM 1612 CG GLN A 96 -3.786 1.867 -10.208 1.00 51.15 C ATOM 1613 CD GLN A 96 -5.093 1.918 -9.438 1.00 51.10 C ATOM 1614 OE1 GLN A 96 -5.126 2.208 -8.242 1.00 53.35 O ATOM 1615 NE2 GLN A 96 -6.173 1.634 -10.114 1.00 4.24 N ATOM 0 H GLN A 96 -0.688 0.369 -8.089 1.00 43.31 H new ATOM 0 HA GLN A 96 -3.508 0.081 -8.019 1.00 72.20 H new ATOM 0 HB2 GLN A 96 -2.449 2.187 -8.558 1.00 12.42 H new ATOM 0 HB3 GLN A 96 -1.684 1.492 -9.974 1.00 12.42 H new ATOM 0 HG2 GLN A 96 -3.593 2.848 -10.643 1.00 51.15 H new ATOM 0 HG3 GLN A 96 -3.890 1.166 -11.036 1.00 51.15 H new ATOM 0 HE21 GLN A 96 -6.108 1.398 -11.104 1.00 4.24 H new ATOM 0 HE22 GLN A 96 -7.082 1.648 -9.652 1.00 4.24 H new ATOM 1624 N GLY A 97 -1.893 -1.529 -10.352 1.00 31.14 N ATOM 1625 CA GLY A 97 -2.030 -2.552 -11.351 1.00 53.03 C ATOM 1626 C GLY A 97 -2.876 -3.691 -10.852 1.00 41.24 C ATOM 1627 O GLY A 97 -3.884 -4.011 -11.453 1.00 72.55 O ATOM 0 H GLY A 97 -0.930 -1.294 -10.111 1.00 31.14 H new ATOM 0 HA2 GLY A 97 -2.479 -2.129 -12.249 1.00 53.03 H new ATOM 0 HA3 GLY A 97 -1.045 -2.924 -11.632 1.00 53.03 H new ATOM 1631 N ILE A 98 -2.498 -4.258 -9.714 1.00 53.44 N ATOM 1632 CA ILE A 98 -3.252 -5.376 -9.115 1.00 71.53 C ATOM 1633 C ILE A 98 -4.661 -4.955 -8.644 1.00 14.35 C ATOM 1634 O ILE A 98 -5.607 -5.766 -8.622 1.00 3.43 O ATOM 1635 CB ILE A 98 -2.446 -6.087 -7.996 1.00 23.22 C ATOM 1636 CG1 ILE A 98 -1.930 -5.089 -6.956 1.00 42.22 C ATOM 1637 CG2 ILE A 98 -1.313 -6.869 -8.597 1.00 3.40 C ATOM 1638 CD1 ILE A 98 -1.025 -5.689 -5.898 1.00 44.13 C ATOM 0 H ILE A 98 -1.678 -3.971 -9.181 1.00 53.44 H new ATOM 0 HA ILE A 98 -3.403 -6.108 -9.909 1.00 71.53 H new ATOM 0 HB ILE A 98 -3.114 -6.776 -7.479 1.00 23.22 H new ATOM 0 HG12 ILE A 98 -1.388 -4.296 -7.471 1.00 42.22 H new ATOM 0 HG13 ILE A 98 -2.784 -4.624 -6.463 1.00 42.22 H new ATOM 0 HG21 ILE A 98 -0.752 -7.365 -7.805 1.00 3.40 H new ATOM 0 HG22 ILE A 98 -1.711 -7.617 -9.283 1.00 3.40 H new ATOM 0 HG23 ILE A 98 -0.652 -6.193 -9.140 1.00 3.40 H new ATOM 0 HD11 ILE A 98 -0.708 -4.909 -5.205 1.00 44.13 H new ATOM 0 HD12 ILE A 98 -1.566 -6.462 -5.352 1.00 44.13 H new ATOM 0 HD13 ILE A 98 -0.149 -6.128 -6.375 1.00 44.13 H new ATOM 1650 N LEU A 99 -4.787 -3.683 -8.320 1.00 72.24 N ATOM 1651 CA LEU A 99 -6.054 -3.047 -7.951 1.00 55.24 C ATOM 1652 C LEU A 99 -7.011 -2.957 -9.134 1.00 64.22 C ATOM 1653 O LEU A 99 -8.238 -2.913 -8.967 1.00 72.20 O ATOM 1654 CB LEU A 99 -5.750 -1.672 -7.360 1.00 41.01 C ATOM 1655 CG LEU A 99 -5.389 -1.689 -5.909 1.00 15.44 C ATOM 1656 CD1 LEU A 99 -4.665 -0.433 -5.544 1.00 44.30 C ATOM 1657 CD2 LEU A 99 -6.672 -1.779 -5.126 1.00 35.55 C ATOM 0 H LEU A 99 -3.996 -3.040 -8.303 1.00 72.24 H new ATOM 0 HA LEU A 99 -6.562 -3.658 -7.205 1.00 55.24 H new ATOM 0 HB2 LEU A 99 -4.930 -1.222 -7.920 1.00 41.01 H new ATOM 0 HB3 LEU A 99 -6.620 -1.030 -7.498 1.00 41.01 H new ATOM 0 HG LEU A 99 -4.738 -2.535 -5.689 1.00 15.44 H new ATOM 0 HD11 LEU A 99 -4.407 -0.456 -4.485 1.00 44.30 H new ATOM 0 HD12 LEU A 99 -3.754 -0.352 -6.138 1.00 44.30 H new ATOM 0 HD13 LEU A 99 -5.305 0.427 -5.743 1.00 44.30 H new ATOM 0 HD21 LEU A 99 -6.447 -1.794 -4.060 1.00 35.55 H new ATOM 0 HD22 LEU A 99 -7.298 -0.916 -5.353 1.00 35.55 H new ATOM 0 HD23 LEU A 99 -7.201 -2.692 -5.398 1.00 35.55 H new ATOM 1669 N TYR A 100 -6.458 -2.927 -10.309 1.00 0.31 N ATOM 1670 CA TYR A 100 -7.234 -2.898 -11.516 1.00 22.05 C ATOM 1671 C TYR A 100 -7.371 -4.307 -12.092 1.00 62.22 C ATOM 1672 O TYR A 100 -8.368 -4.642 -12.717 1.00 73.34 O ATOM 1673 CB TYR A 100 -6.562 -1.957 -12.537 1.00 53.14 C ATOM 1674 CG TYR A 100 -7.254 -1.899 -13.885 1.00 21.20 C ATOM 1675 CD1 TYR A 100 -8.454 -1.218 -14.055 1.00 73.54 C ATOM 1676 CD2 TYR A 100 -6.703 -2.535 -14.986 1.00 51.35 C ATOM 1677 CE1 TYR A 100 -9.083 -1.183 -15.290 1.00 14.34 C ATOM 1678 CE2 TYR A 100 -7.317 -2.498 -16.211 1.00 50.44 C ATOM 1679 CZ TYR A 100 -8.503 -1.827 -16.365 1.00 14.24 C ATOM 1680 OH TYR A 100 -9.122 -1.811 -17.607 1.00 65.23 O ATOM 0 H TYR A 100 -5.449 -2.922 -10.460 1.00 0.31 H new ATOM 0 HA TYR A 100 -8.233 -2.524 -11.293 1.00 22.05 H new ATOM 0 HB2 TYR A 100 -6.526 -0.952 -12.117 1.00 53.14 H new ATOM 0 HB3 TYR A 100 -5.531 -2.278 -12.685 1.00 53.14 H new ATOM 0 HD1 TYR A 100 -8.902 -0.710 -13.214 1.00 73.54 H new ATOM 0 HD2 TYR A 100 -5.771 -3.070 -14.877 1.00 51.35 H new ATOM 0 HE1 TYR A 100 -10.018 -0.657 -15.410 1.00 14.34 H new ATOM 0 HE2 TYR A 100 -6.866 -2.998 -17.056 1.00 50.44 H new ATOM 0 HH TYR A 100 -8.578 -2.311 -18.250 1.00 65.23 H new ATOM 1690 N LEU A 101 -6.378 -5.127 -11.839 1.00 1.51 N ATOM 1691 CA LEU A 101 -6.292 -6.459 -12.418 1.00 32.34 C ATOM 1692 C LEU A 101 -7.362 -7.422 -12.042 1.00 14.15 C ATOM 1693 O LEU A 101 -8.073 -7.918 -12.915 1.00 14.34 O ATOM 1694 CB LEU A 101 -4.959 -7.110 -12.117 1.00 11.21 C ATOM 1695 CG LEU A 101 -3.755 -6.546 -12.872 1.00 5.40 C ATOM 1696 CD1 LEU A 101 -2.495 -7.271 -12.486 1.00 12.22 C ATOM 1697 CD2 LEU A 101 -3.970 -6.648 -14.372 1.00 41.12 C ATOM 0 H LEU A 101 -5.600 -4.893 -11.223 1.00 1.51 H new ATOM 0 HA LEU A 101 -6.420 -6.256 -13.481 1.00 32.34 H new ATOM 0 HB2 LEU A 101 -4.767 -7.022 -11.048 1.00 11.21 H new ATOM 0 HB3 LEU A 101 -5.037 -8.174 -12.340 1.00 11.21 H new ATOM 0 HG LEU A 101 -3.651 -5.496 -12.601 1.00 5.40 H new ATOM 0 HD11 LEU A 101 -1.652 -6.853 -13.036 1.00 12.22 H new ATOM 0 HD12 LEU A 101 -2.323 -7.157 -11.416 1.00 12.22 H new ATOM 0 HD13 LEU A 101 -2.596 -8.329 -12.727 1.00 12.22 H new ATOM 0 HD21 LEU A 101 -3.103 -6.242 -14.892 1.00 41.12 H new ATOM 0 HD22 LEU A 101 -4.103 -7.693 -14.650 1.00 41.12 H new ATOM 0 HD23 LEU A 101 -4.859 -6.082 -14.651 1.00 41.12 H new ATOM 1709 N ASN A 102 -7.528 -7.695 -10.782 1.00 73.32 N ATOM 1710 CA ASN A 102 -8.347 -8.850 -10.475 1.00 12.21 C ATOM 1711 C ASN A 102 -9.168 -8.655 -9.265 1.00 51.32 C ATOM 1712 O ASN A 102 -10.390 -8.591 -9.333 1.00 23.52 O ATOM 1713 CB ASN A 102 -7.432 -10.087 -10.292 1.00 71.42 C ATOM 1714 CG ASN A 102 -8.188 -11.414 -10.177 1.00 31.41 C ATOM 1715 OD1 ASN A 102 -8.454 -12.066 -11.184 1.00 34.14 O ATOM 1716 ND2 ASN A 102 -8.508 -11.832 -8.968 1.00 12.33 N ATOM 0 H ASN A 102 -7.141 -7.180 -9.991 1.00 73.32 H new ATOM 0 HA ASN A 102 -9.034 -9.000 -11.308 1.00 12.21 H new ATOM 0 HB2 ASN A 102 -6.745 -10.145 -11.136 1.00 71.42 H new ATOM 0 HB3 ASN A 102 -6.826 -9.948 -9.397 1.00 71.42 H new ATOM 0 HD21 ASN A 102 -8.992 -12.722 -8.847 1.00 12.33 H new ATOM 0 HD22 ASN A 102 -8.272 -11.265 -8.153 1.00 12.33 H new ATOM 1723 N GLN A 103 -8.515 -8.546 -8.155 1.00 34.14 N ATOM 1724 CA GLN A 103 -9.229 -8.480 -6.931 1.00 40.14 C ATOM 1725 C GLN A 103 -9.397 -7.077 -6.424 1.00 23.44 C ATOM 1726 O GLN A 103 -10.524 -6.576 -6.371 1.00 13.23 O ATOM 1727 CB GLN A 103 -8.615 -9.416 -5.873 1.00 64.21 C ATOM 1728 CG GLN A 103 -7.122 -9.236 -5.650 1.00 11.12 C ATOM 1729 CD GLN A 103 -6.573 -10.173 -4.614 1.00 63.42 C ATOM 1730 OE1 GLN A 103 -5.519 -9.771 -3.965 1.00 42.43 O flip ATOM 1731 NE2 GLN A 103 -7.080 -11.270 -4.419 1.00 75.14 N flip ATOM 0 H GLN A 103 -7.499 -8.501 -8.074 1.00 34.14 H new ATOM 0 HA GLN A 103 -10.238 -8.838 -7.138 1.00 40.14 H new ATOM 0 HB2 GLN A 103 -9.131 -9.258 -4.926 1.00 64.21 H new ATOM 0 HB3 GLN A 103 -8.802 -10.448 -6.170 1.00 64.21 H new ATOM 0 HG2 GLN A 103 -6.597 -9.394 -6.592 1.00 11.12 H new ATOM 0 HG3 GLN A 103 -6.926 -8.208 -5.345 1.00 11.12 H new ATOM 0 HE21 GLN A 103 -7.906 -11.551 -4.947 1.00 75.14 H new ATOM 0 HE22 GLN A 103 -6.676 -11.903 -3.729 1.00 75.14 H new ATOM 1740 N GLU A 104 -8.275 -6.428 -6.129 1.00 74.44 N ATOM 1741 CA GLU A 104 -8.214 -5.169 -5.424 1.00 52.21 C ATOM 1742 C GLU A 104 -6.816 -5.217 -4.794 1.00 64.43 C ATOM 1743 O GLU A 104 -5.942 -5.917 -5.319 1.00 51.01 O ATOM 1744 CB GLU A 104 -9.247 -5.172 -4.276 1.00 61.43 C ATOM 1745 CG GLU A 104 -9.579 -3.824 -3.713 1.00 13.42 C ATOM 1746 CD GLU A 104 -10.370 -3.946 -2.452 1.00 14.52 C ATOM 1747 OE1 GLU A 104 -11.596 -4.101 -2.529 1.00 53.12 O ATOM 1748 OE2 GLU A 104 -9.779 -3.914 -1.362 1.00 21.41 O ATOM 0 H GLU A 104 -7.355 -6.784 -6.387 1.00 74.44 H new ATOM 0 HA GLU A 104 -8.405 -4.305 -6.060 1.00 52.21 H new ATOM 0 HB2 GLU A 104 -10.166 -5.634 -4.637 1.00 61.43 H new ATOM 0 HB3 GLU A 104 -8.869 -5.801 -3.470 1.00 61.43 H new ATOM 0 HG2 GLU A 104 -8.660 -3.272 -3.517 1.00 13.42 H new ATOM 0 HG3 GLU A 104 -10.145 -3.250 -4.447 1.00 13.42 H new ATOM 1755 N VAL A 105 -6.608 -4.521 -3.694 1.00 64.43 N ATOM 1756 CA VAL A 105 -5.383 -4.587 -2.982 1.00 2.14 C ATOM 1757 C VAL A 105 -5.351 -5.931 -2.241 1.00 44.00 C ATOM 1758 O VAL A 105 -6.353 -6.316 -1.613 1.00 30.52 O ATOM 1759 CB VAL A 105 -5.202 -3.365 -2.007 1.00 73.51 C ATOM 1760 CG1 VAL A 105 -6.352 -3.242 -1.026 1.00 45.04 C ATOM 1761 CG2 VAL A 105 -3.884 -3.442 -1.266 1.00 5.41 C ATOM 0 H VAL A 105 -7.299 -3.895 -3.281 1.00 64.43 H new ATOM 0 HA VAL A 105 -4.543 -4.526 -3.674 1.00 2.14 H new ATOM 0 HB VAL A 105 -5.199 -2.469 -2.628 1.00 73.51 H new ATOM 0 HG11 VAL A 105 -6.184 -2.385 -0.374 1.00 45.04 H new ATOM 0 HG12 VAL A 105 -7.284 -3.104 -1.574 1.00 45.04 H new ATOM 0 HG13 VAL A 105 -6.416 -4.149 -0.425 1.00 45.04 H new ATOM 0 HG21 VAL A 105 -3.790 -2.584 -0.601 1.00 5.41 H new ATOM 0 HG22 VAL A 105 -3.849 -4.360 -0.680 1.00 5.41 H new ATOM 0 HG23 VAL A 105 -3.063 -3.438 -1.983 1.00 5.41 H new ATOM 1771 N PRO A 106 -4.223 -6.673 -2.371 1.00 21.54 N ATOM 1772 CA PRO A 106 -4.025 -8.009 -1.835 1.00 50.13 C ATOM 1773 C PRO A 106 -4.752 -8.328 -0.539 1.00 70.24 C ATOM 1774 O PRO A 106 -4.501 -7.736 0.506 1.00 4.01 O ATOM 1775 CB PRO A 106 -2.510 -8.108 -1.635 1.00 45.01 C ATOM 1776 CG PRO A 106 -1.936 -6.868 -2.257 1.00 73.04 C ATOM 1777 CD PRO A 106 -3.025 -6.253 -3.077 1.00 41.24 C ATOM 0 HA PRO A 106 -4.448 -8.736 -2.528 1.00 50.13 H new ATOM 0 HB2 PRO A 106 -2.258 -8.168 -0.576 1.00 45.01 H new ATOM 0 HB3 PRO A 106 -2.110 -9.005 -2.109 1.00 45.01 H new ATOM 0 HG2 PRO A 106 -1.591 -6.175 -1.490 1.00 73.04 H new ATOM 0 HG3 PRO A 106 -1.074 -7.111 -2.878 1.00 73.04 H new ATOM 0 HD2 PRO A 106 -2.938 -5.167 -3.119 1.00 41.24 H new ATOM 0 HD3 PRO A 106 -3.012 -6.614 -4.105 1.00 41.24 H new ATOM 1785 N LYS A 107 -5.644 -9.292 -0.635 1.00 21.52 N ATOM 1786 CA LYS A 107 -6.371 -9.834 0.495 1.00 64.21 C ATOM 1787 C LYS A 107 -5.358 -10.467 1.471 1.00 51.31 C ATOM 1788 O LYS A 107 -5.623 -10.652 2.659 1.00 1.24 O ATOM 1789 CB LYS A 107 -7.469 -10.805 -0.028 1.00 22.41 C ATOM 1790 CG LYS A 107 -8.402 -11.447 1.008 1.00 23.54 C ATOM 1791 CD LYS A 107 -7.778 -12.655 1.696 1.00 43.22 C ATOM 1792 CE LYS A 107 -8.760 -13.314 2.641 1.00 23.15 C ATOM 1793 NZ LYS A 107 -8.215 -14.553 3.220 1.00 5.54 N ATOM 0 H LYS A 107 -5.890 -9.731 -1.522 1.00 21.52 H new ATOM 0 HA LYS A 107 -6.899 -9.065 1.058 1.00 64.21 H new ATOM 0 HB2 LYS A 107 -8.085 -10.261 -0.744 1.00 22.41 H new ATOM 0 HB3 LYS A 107 -6.975 -11.606 -0.577 1.00 22.41 H new ATOM 0 HG2 LYS A 107 -8.669 -10.704 1.760 1.00 23.54 H new ATOM 0 HG3 LYS A 107 -9.327 -11.751 0.518 1.00 23.54 H new ATOM 0 HD2 LYS A 107 -7.451 -13.375 0.946 1.00 43.22 H new ATOM 0 HD3 LYS A 107 -6.891 -12.345 2.248 1.00 43.22 H new ATOM 0 HE2 LYS A 107 -9.015 -12.620 3.442 1.00 23.15 H new ATOM 0 HE3 LYS A 107 -9.684 -13.538 2.107 1.00 23.15 H new ATOM 0 HZ1 LYS A 107 -8.705 -14.764 4.113 1.00 5.54 H new ATOM 0 HZ2 LYS A 107 -8.356 -15.339 2.554 1.00 5.54 H new ATOM 0 HZ3 LYS A 107 -7.198 -14.433 3.403 1.00 5.54 H new ATOM 1807 N GLU A 108 -4.184 -10.780 0.939 1.00 64.42 N ATOM 1808 CA GLU A 108 -3.081 -11.261 1.732 1.00 41.31 C ATOM 1809 C GLU A 108 -2.697 -10.200 2.773 1.00 43.22 C ATOM 1810 O GLU A 108 -2.403 -10.526 3.926 1.00 41.13 O ATOM 1811 CB GLU A 108 -1.879 -11.579 0.844 1.00 25.01 C ATOM 1812 CG GLU A 108 -0.685 -12.111 1.610 1.00 74.30 C ATOM 1813 CD GLU A 108 0.474 -12.446 0.726 1.00 12.21 C ATOM 1814 OE1 GLU A 108 1.292 -11.556 0.456 1.00 33.31 O ATOM 1815 OE2 GLU A 108 0.599 -13.622 0.316 1.00 14.01 O ATOM 0 H GLU A 108 -3.978 -10.704 -0.057 1.00 64.42 H new ATOM 0 HA GLU A 108 -3.385 -12.176 2.240 1.00 41.31 H new ATOM 0 HB2 GLU A 108 -2.175 -12.312 0.094 1.00 25.01 H new ATOM 0 HB3 GLU A 108 -1.584 -10.677 0.308 1.00 25.01 H new ATOM 0 HG2 GLU A 108 -0.372 -11.369 2.345 1.00 74.30 H new ATOM 0 HG3 GLU A 108 -0.983 -13.002 2.163 1.00 74.30 H new ATOM 1822 N LEU A 109 -2.743 -8.913 2.388 1.00 21.45 N ATOM 1823 CA LEU A 109 -2.400 -7.890 3.298 1.00 14.15 C ATOM 1824 C LEU A 109 -3.505 -7.656 4.285 1.00 12.45 C ATOM 1825 O LEU A 109 -3.265 -7.190 5.402 1.00 53.43 O ATOM 1826 CB LEU A 109 -1.739 -6.616 2.703 1.00 14.23 C ATOM 1827 CG LEU A 109 -2.520 -5.741 1.742 1.00 64.50 C ATOM 1828 CD1 LEU A 109 -3.698 -5.154 2.450 1.00 74.54 C ATOM 1829 CD2 LEU A 109 -1.626 -4.636 1.214 1.00 62.13 C ATOM 0 H LEU A 109 -3.015 -8.593 1.458 1.00 21.45 H new ATOM 0 HA LEU A 109 -1.551 -8.275 3.864 1.00 14.15 H new ATOM 0 HB2 LEU A 109 -1.433 -5.988 3.539 1.00 14.23 H new ATOM 0 HB3 LEU A 109 -0.830 -6.930 2.191 1.00 14.23 H new ATOM 0 HG LEU A 109 -2.870 -6.343 0.903 1.00 64.50 H new ATOM 0 HD11 LEU A 109 -4.260 -4.525 1.760 1.00 74.54 H new ATOM 0 HD12 LEU A 109 -4.340 -5.956 2.815 1.00 74.54 H new ATOM 0 HD13 LEU A 109 -3.354 -4.553 3.292 1.00 74.54 H new ATOM 0 HD21 LEU A 109 -2.191 -4.009 0.524 1.00 62.13 H new ATOM 0 HD22 LEU A 109 -1.268 -4.029 2.046 1.00 62.13 H new ATOM 0 HD23 LEU A 109 -0.775 -5.074 0.693 1.00 62.13 H new ATOM 1841 N LEU A 110 -4.738 -7.933 3.841 1.00 23.00 N ATOM 1842 CA LEU A 110 -5.894 -7.879 4.706 1.00 20.20 C ATOM 1843 C LEU A 110 -5.585 -8.711 5.961 1.00 75.24 C ATOM 1844 O LEU A 110 -5.800 -8.291 7.077 1.00 44.10 O ATOM 1845 CB LEU A 110 -7.126 -8.469 4.012 1.00 75.51 C ATOM 1846 CG LEU A 110 -8.442 -8.313 4.759 1.00 62.15 C ATOM 1847 CD1 LEU A 110 -8.877 -6.874 4.740 1.00 3.13 C ATOM 1848 CD2 LEU A 110 -9.517 -9.209 4.190 1.00 74.33 C ATOM 0 H LEU A 110 -4.948 -8.197 2.878 1.00 23.00 H new ATOM 0 HA LEU A 110 -6.106 -6.840 4.959 1.00 20.20 H new ATOM 0 HB2 LEU A 110 -7.228 -8.001 3.033 1.00 75.51 H new ATOM 0 HB3 LEU A 110 -6.950 -9.531 3.841 1.00 75.51 H new ATOM 0 HG LEU A 110 -8.282 -8.620 5.793 1.00 62.15 H new ATOM 0 HD11 LEU A 110 -9.820 -6.772 5.277 1.00 3.13 H new ATOM 0 HD12 LEU A 110 -8.117 -6.258 5.221 1.00 3.13 H new ATOM 0 HD13 LEU A 110 -9.010 -6.548 3.709 1.00 3.13 H new ATOM 0 HD21 LEU A 110 -10.442 -9.069 4.750 1.00 74.33 H new ATOM 0 HD22 LEU A 110 -9.685 -8.956 3.143 1.00 74.33 H new ATOM 0 HD23 LEU A 110 -9.201 -10.249 4.266 1.00 74.33 H new ATOM 1860 N GLU A 111 -5.068 -9.893 5.748 1.00 21.21 N ATOM 1861 CA GLU A 111 -4.630 -10.740 6.840 1.00 23.45 C ATOM 1862 C GLU A 111 -3.268 -10.285 7.403 1.00 24.44 C ATOM 1863 O GLU A 111 -2.923 -10.602 8.534 1.00 40.20 O ATOM 1864 CB GLU A 111 -4.591 -12.200 6.407 1.00 72.44 C ATOM 1865 CG GLU A 111 -5.954 -12.745 6.028 1.00 71.30 C ATOM 1866 CD GLU A 111 -5.906 -14.176 5.570 1.00 72.04 C ATOM 1867 OE1 GLU A 111 -5.971 -15.096 6.421 1.00 20.13 O ATOM 1868 OE2 GLU A 111 -5.832 -14.413 4.358 1.00 72.33 O ATOM 0 H GLU A 111 -4.937 -10.299 4.821 1.00 21.21 H new ATOM 0 HA GLU A 111 -5.357 -10.645 7.646 1.00 23.45 H new ATOM 0 HB2 GLU A 111 -3.916 -12.303 5.557 1.00 72.44 H new ATOM 0 HB3 GLU A 111 -4.178 -12.802 7.217 1.00 72.44 H new ATOM 0 HG2 GLU A 111 -6.622 -12.666 6.885 1.00 71.30 H new ATOM 0 HG3 GLU A 111 -6.378 -12.129 5.235 1.00 71.30 H new ATOM 1875 N PHE A 112 -2.530 -9.508 6.619 1.00 5.12 N ATOM 1876 CA PHE A 112 -1.166 -9.117 6.957 1.00 72.34 C ATOM 1877 C PHE A 112 -1.112 -8.127 8.102 1.00 64.32 C ATOM 1878 O PHE A 112 -0.257 -8.228 8.976 1.00 55.40 O ATOM 1879 CB PHE A 112 -0.411 -8.597 5.729 1.00 12.41 C ATOM 1880 CG PHE A 112 1.048 -8.312 5.917 1.00 10.34 C ATOM 1881 CD1 PHE A 112 1.964 -9.348 5.956 1.00 12.11 C ATOM 1882 CD2 PHE A 112 1.504 -7.013 6.014 1.00 15.34 C ATOM 1883 CE1 PHE A 112 3.309 -9.090 6.094 1.00 50.43 C ATOM 1884 CE2 PHE A 112 2.844 -6.751 6.156 1.00 53.14 C ATOM 1885 CZ PHE A 112 3.748 -7.791 6.195 1.00 11.33 C ATOM 0 H PHE A 112 -2.860 -9.131 5.731 1.00 5.12 H new ATOM 0 HA PHE A 112 -0.660 -10.019 7.302 1.00 72.34 H new ATOM 0 HB2 PHE A 112 -0.516 -9.329 4.928 1.00 12.41 H new ATOM 0 HB3 PHE A 112 -0.897 -7.682 5.391 1.00 12.41 H new ATOM 0 HD1 PHE A 112 1.621 -10.369 5.877 1.00 12.11 H new ATOM 0 HD2 PHE A 112 0.800 -6.195 5.978 1.00 15.34 H new ATOM 0 HE1 PHE A 112 4.017 -9.905 6.123 1.00 50.43 H new ATOM 0 HE2 PHE A 112 3.190 -5.731 6.237 1.00 53.14 H new ATOM 0 HZ PHE A 112 4.802 -7.585 6.305 1.00 11.33 H new ATOM 1895 N LEU A 113 -2.016 -7.170 8.120 1.00 24.35 N ATOM 1896 CA LEU A 113 -2.019 -6.218 9.223 1.00 31.25 C ATOM 1897 C LEU A 113 -3.210 -6.471 10.120 1.00 64.13 C ATOM 1898 O LEU A 113 -3.551 -5.638 10.962 1.00 2.42 O ATOM 1899 CB LEU A 113 -2.038 -4.750 8.761 1.00 51.31 C ATOM 1900 CG LEU A 113 -0.962 -4.280 7.777 1.00 33.34 C ATOM 1901 CD1 LEU A 113 -1.310 -4.648 6.337 1.00 71.12 C ATOM 1902 CD2 LEU A 113 -0.746 -2.801 7.914 1.00 53.42 C ATOM 0 H LEU A 113 -2.737 -7.028 7.413 1.00 24.35 H new ATOM 0 HA LEU A 113 -1.086 -6.374 9.765 1.00 31.25 H new ATOM 0 HB2 LEU A 113 -3.010 -4.558 8.306 1.00 51.31 H new ATOM 0 HB3 LEU A 113 -1.972 -4.122 9.649 1.00 51.31 H new ATOM 0 HG LEU A 113 -0.034 -4.796 8.024 1.00 33.34 H new ATOM 0 HD11 LEU A 113 -0.522 -4.297 5.671 1.00 71.12 H new ATOM 0 HD12 LEU A 113 -1.403 -5.731 6.250 1.00 71.12 H new ATOM 0 HD13 LEU A 113 -2.254 -4.180 6.060 1.00 71.12 H new ATOM 0 HD21 LEU A 113 0.021 -2.479 7.210 1.00 53.42 H new ATOM 0 HD22 LEU A 113 -1.677 -2.276 7.702 1.00 53.42 H new ATOM 0 HD23 LEU A 113 -0.424 -2.573 8.930 1.00 53.42 H new ATOM 1914 N ARG A 114 -3.833 -7.645 9.938 1.00 41.10 N ATOM 1915 CA ARG A 114 -5.038 -8.043 10.679 1.00 51.53 C ATOM 1916 C ARG A 114 -6.183 -7.058 10.334 1.00 34.03 C ATOM 1917 O ARG A 114 -7.099 -6.806 11.116 1.00 70.42 O ATOM 1918 CB ARG A 114 -4.737 -8.132 12.203 1.00 31.44 C ATOM 1919 CG ARG A 114 -5.864 -8.728 13.042 1.00 30.23 C ATOM 1920 CD ARG A 114 -5.461 -8.867 14.502 1.00 34.11 C ATOM 1921 NE ARG A 114 -4.305 -9.767 14.672 1.00 22.11 N ATOM 1922 CZ ARG A 114 -3.734 -10.078 15.841 1.00 43.43 C ATOM 1923 NH1 ARG A 114 -4.226 -9.602 16.973 1.00 14.04 N ATOM 1924 NH2 ARG A 114 -2.681 -10.890 15.864 1.00 63.44 N ATOM 0 H ARG A 114 -3.514 -8.347 9.270 1.00 41.10 H new ATOM 0 HA ARG A 114 -5.360 -9.041 10.382 1.00 51.53 H new ATOM 0 HB2 ARG A 114 -3.838 -8.732 12.348 1.00 31.44 H new ATOM 0 HB3 ARG A 114 -4.516 -7.132 12.575 1.00 31.44 H new ATOM 0 HG2 ARG A 114 -6.748 -8.095 12.967 1.00 30.23 H new ATOM 0 HG3 ARG A 114 -6.137 -9.706 12.644 1.00 30.23 H new ATOM 0 HD2 ARG A 114 -5.218 -7.884 14.906 1.00 34.11 H new ATOM 0 HD3 ARG A 114 -6.305 -9.248 15.077 1.00 34.11 H new ATOM 0 HE ARG A 114 -3.909 -10.186 13.831 1.00 22.11 H new ATOM 0 HH11 ARG A 114 -5.045 -8.994 16.957 1.00 14.04 H new ATOM 0 HH12 ARG A 114 -3.786 -9.843 17.861 1.00 14.04 H new ATOM 0 HH21 ARG A 114 -2.313 -11.272 14.993 1.00 63.44 H new ATOM 0 HH22 ARG A 114 -2.242 -11.130 16.753 1.00 63.44 H new ATOM 1938 N LEU A 115 -6.122 -6.569 9.092 1.00 13.42 N ATOM 1939 CA LEU A 115 -7.099 -5.657 8.498 1.00 73.20 C ATOM 1940 C LEU A 115 -8.438 -6.383 8.351 1.00 54.42 C ATOM 1941 O LEU A 115 -9.490 -5.761 8.205 1.00 51.53 O ATOM 1942 CB LEU A 115 -6.626 -5.253 7.091 1.00 10.34 C ATOM 1943 CG LEU A 115 -5.257 -4.620 6.942 1.00 42.41 C ATOM 1944 CD1 LEU A 115 -4.968 -4.331 5.475 1.00 71.41 C ATOM 1945 CD2 LEU A 115 -5.135 -3.370 7.766 1.00 61.13 C ATOM 0 H LEU A 115 -5.364 -6.807 8.452 1.00 13.42 H new ATOM 0 HA LEU A 115 -7.205 -4.778 9.134 1.00 73.20 H new ATOM 0 HB2 LEU A 115 -6.649 -6.145 6.465 1.00 10.34 H new ATOM 0 HB3 LEU A 115 -7.359 -4.558 6.682 1.00 10.34 H new ATOM 0 HG LEU A 115 -4.516 -5.328 7.313 1.00 42.41 H new ATOM 0 HD11 LEU A 115 -3.982 -3.876 5.381 1.00 71.41 H new ATOM 0 HD12 LEU A 115 -4.994 -5.262 4.909 1.00 71.41 H new ATOM 0 HD13 LEU A 115 -5.721 -3.647 5.084 1.00 71.41 H new ATOM 0 HD21 LEU A 115 -4.141 -2.943 7.635 1.00 61.13 H new ATOM 0 HD22 LEU A 115 -5.885 -2.648 7.445 1.00 61.13 H new ATOM 0 HD23 LEU A 115 -5.290 -3.611 8.818 1.00 61.13 H new ATOM 1957 N ARG A 116 -8.362 -7.716 8.333 1.00 41.43 N ATOM 1958 CA ARG A 116 -9.531 -8.575 8.297 1.00 41.31 C ATOM 1959 C ARG A 116 -10.416 -8.222 9.481 1.00 55.25 C ATOM 1960 O ARG A 116 -9.944 -8.228 10.622 1.00 34.44 O ATOM 1961 CB ARG A 116 -9.091 -10.038 8.359 1.00 74.54 C ATOM 1962 CG ARG A 116 -10.229 -11.042 8.359 1.00 12.42 C ATOM 1963 CD ARG A 116 -9.697 -12.465 8.410 1.00 14.55 C ATOM 1964 NE ARG A 116 -8.847 -12.689 9.590 1.00 25.21 N ATOM 1965 CZ ARG A 116 -8.162 -13.811 9.846 1.00 20.21 C ATOM 1966 NH1 ARG A 116 -8.250 -14.845 9.025 1.00 2.22 N ATOM 1967 NH2 ARG A 116 -7.396 -13.893 10.932 1.00 51.04 N ATOM 0 H ARG A 116 -7.478 -8.225 8.343 1.00 41.43 H new ATOM 0 HA ARG A 116 -10.090 -8.430 7.373 1.00 41.31 H new ATOM 0 HB2 ARG A 116 -8.442 -10.245 7.508 1.00 74.54 H new ATOM 0 HB3 ARG A 116 -8.494 -10.186 9.259 1.00 74.54 H new ATOM 0 HG2 ARG A 116 -10.879 -10.861 9.216 1.00 12.42 H new ATOM 0 HG3 ARG A 116 -10.837 -10.909 7.464 1.00 12.42 H new ATOM 0 HD2 ARG A 116 -10.532 -13.165 8.426 1.00 14.55 H new ATOM 0 HD3 ARG A 116 -9.125 -12.672 7.506 1.00 14.55 H new ATOM 0 HE ARG A 116 -8.774 -11.929 10.267 1.00 25.21 H new ATOM 0 HH11 ARG A 116 -8.840 -14.789 8.195 1.00 2.22 H new ATOM 0 HH12 ARG A 116 -7.727 -15.699 9.222 1.00 2.22 H new ATOM 0 HH21 ARG A 116 -7.330 -13.100 11.571 1.00 51.04 H new ATOM 0 HH22 ARG A 116 -6.875 -14.748 11.125 1.00 51.04 H new ATOM 1981 N HIS A 117 -11.680 -7.917 9.194 1.00 33.11 N ATOM 1982 CA HIS A 117 -12.618 -7.372 10.175 1.00 50.23 C ATOM 1983 C HIS A 117 -12.129 -5.975 10.539 1.00 60.34 C ATOM 1984 O HIS A 117 -11.408 -5.777 11.528 1.00 33.43 O ATOM 1985 CB HIS A 117 -12.789 -8.277 11.428 1.00 34.04 C ATOM 1986 CG HIS A 117 -13.810 -7.796 12.421 1.00 41.10 C ATOM 1987 ND1 HIS A 117 -13.485 -7.114 13.576 1.00 60.53 N ATOM 1988 CD2 HIS A 117 -15.153 -7.931 12.437 1.00 44.33 C ATOM 1989 CE1 HIS A 117 -14.583 -6.856 14.249 1.00 71.50 C ATOM 1990 NE2 HIS A 117 -15.604 -7.341 13.581 1.00 12.40 N ATOM 0 H HIS A 117 -12.086 -8.042 8.267 1.00 33.11 H new ATOM 0 HA HIS A 117 -13.615 -7.327 9.737 1.00 50.23 H new ATOM 0 HB2 HIS A 117 -13.066 -9.279 11.100 1.00 34.04 H new ATOM 0 HB3 HIS A 117 -11.826 -8.362 11.931 1.00 34.04 H new ATOM 0 HD2 HIS A 117 -15.757 -8.416 11.685 1.00 44.33 H new ATOM 0 HE1 HIS A 117 -14.637 -6.333 15.192 1.00 71.50 H new ATOM 0 HE2 HIS A 117 -16.580 -7.285 13.872 1.00 12.40 H new ATOM 1999 N PHE A 118 -12.469 -5.039 9.692 1.00 12.52 N ATOM 2000 CA PHE A 118 -11.957 -3.692 9.769 1.00 0.43 C ATOM 2001 C PHE A 118 -13.055 -2.744 10.286 1.00 51.13 C ATOM 2002 O PHE A 118 -13.998 -2.415 9.550 1.00 15.21 O ATOM 2003 CB PHE A 118 -11.492 -3.298 8.344 1.00 53.21 C ATOM 2004 CG PHE A 118 -10.673 -2.044 8.218 1.00 23.15 C ATOM 2005 CD1 PHE A 118 -9.315 -2.065 8.489 1.00 63.25 C ATOM 2006 CD2 PHE A 118 -11.243 -0.861 7.798 1.00 62.33 C ATOM 2007 CE1 PHE A 118 -8.545 -0.928 8.348 1.00 1.02 C ATOM 2008 CE2 PHE A 118 -10.479 0.282 7.657 1.00 71.13 C ATOM 2009 CZ PHE A 118 -9.131 0.247 7.933 1.00 43.21 C ATOM 0 H PHE A 118 -13.117 -5.191 8.919 1.00 12.52 H new ATOM 0 HA PHE A 118 -11.120 -3.623 10.464 1.00 0.43 H new ATOM 0 HB2 PHE A 118 -10.911 -4.125 7.936 1.00 53.21 H new ATOM 0 HB3 PHE A 118 -12.377 -3.190 7.716 1.00 53.21 H new ATOM 0 HD1 PHE A 118 -8.852 -2.984 8.815 1.00 63.25 H new ATOM 0 HD2 PHE A 118 -12.299 -0.827 7.576 1.00 62.33 H new ATOM 0 HE1 PHE A 118 -7.487 -0.960 8.562 1.00 1.02 H new ATOM 0 HE2 PHE A 118 -10.940 1.203 7.330 1.00 71.13 H new ATOM 0 HZ PHE A 118 -8.534 1.140 7.824 1.00 43.21 H new ATOM 2019 N PRO A 119 -12.977 -2.335 11.582 1.00 72.14 N ATOM 2020 CA PRO A 119 -13.959 -1.417 12.213 1.00 23.25 C ATOM 2021 C PRO A 119 -13.956 -0.043 11.553 1.00 72.15 C ATOM 2022 O PRO A 119 -14.908 0.725 11.678 1.00 32.15 O ATOM 2023 CB PRO A 119 -13.472 -1.309 13.664 1.00 50.52 C ATOM 2024 CG PRO A 119 -12.621 -2.511 13.862 1.00 22.25 C ATOM 2025 CD PRO A 119 -11.950 -2.752 12.549 1.00 14.30 C ATOM 0 HA PRO A 119 -14.981 -1.785 12.122 1.00 23.25 H new ATOM 0 HB2 PRO A 119 -12.906 -0.391 13.825 1.00 50.52 H new ATOM 0 HB3 PRO A 119 -14.308 -1.295 14.363 1.00 50.52 H new ATOM 0 HG2 PRO A 119 -11.888 -2.346 14.652 1.00 22.25 H new ATOM 0 HG3 PRO A 119 -13.221 -3.371 14.159 1.00 22.25 H new ATOM 0 HD2 PRO A 119 -11.036 -2.167 12.447 1.00 14.30 H new ATOM 0 HD3 PRO A 119 -11.674 -3.799 12.421 1.00 14.30 H new ATOM 2033 N THR A 120 -12.860 0.250 10.879 1.00 41.40 N ATOM 2034 CA THR A 120 -12.684 1.433 10.076 1.00 44.13 C ATOM 2035 C THR A 120 -12.483 2.706 10.893 1.00 31.40 C ATOM 2036 O THR A 120 -13.437 3.273 11.447 1.00 45.35 O ATOM 2037 CB THR A 120 -13.853 1.631 9.078 1.00 51.21 C ATOM 2038 OG1 THR A 120 -14.047 0.418 8.338 1.00 25.20 O ATOM 2039 CG2 THR A 120 -13.548 2.767 8.103 1.00 11.54 C ATOM 0 H THR A 120 -12.040 -0.356 10.880 1.00 41.40 H new ATOM 0 HA THR A 120 -11.762 1.259 9.521 1.00 44.13 H new ATOM 0 HB THR A 120 -14.753 1.884 9.639 1.00 51.21 H new ATOM 0 HG1 THR A 120 -14.428 -0.267 8.926 1.00 25.20 H new ATOM 0 HG21 THR A 120 -14.383 2.887 7.412 1.00 11.54 H new ATOM 0 HG22 THR A 120 -13.400 3.693 8.658 1.00 11.54 H new ATOM 0 HG23 THR A 120 -12.644 2.532 7.542 1.00 11.54 H new ATOM 2047 N ASP A 121 -11.250 3.124 11.006 1.00 40.42 N ATOM 2048 CA ASP A 121 -10.949 4.425 11.544 1.00 0.33 C ATOM 2049 C ASP A 121 -10.147 5.178 10.486 1.00 33.14 C ATOM 2050 O ASP A 121 -9.005 4.837 10.185 1.00 1.21 O ATOM 2051 CB ASP A 121 -10.224 4.389 12.930 1.00 14.33 C ATOM 2052 CG ASP A 121 -8.809 3.839 12.915 1.00 73.24 C ATOM 2053 OD1 ASP A 121 -8.629 2.626 13.052 1.00 62.32 O ATOM 2054 OD2 ASP A 121 -7.850 4.642 12.797 1.00 63.41 O ATOM 0 H ASP A 121 -10.433 2.579 10.731 1.00 40.42 H new ATOM 0 HA ASP A 121 -11.883 4.944 11.761 1.00 0.33 H new ATOM 0 HB2 ASP A 121 -10.197 5.402 13.332 1.00 14.33 H new ATOM 0 HB3 ASP A 121 -10.821 3.789 13.617 1.00 14.33 H new ATOM 2059 N PRO A 122 -10.756 6.162 9.848 1.00 12.23 N ATOM 2060 CA PRO A 122 -10.108 6.901 8.789 1.00 63.22 C ATOM 2061 C PRO A 122 -9.280 8.065 9.320 1.00 54.50 C ATOM 2062 O PRO A 122 -9.224 8.312 10.540 1.00 23.50 O ATOM 2063 CB PRO A 122 -11.294 7.420 7.976 1.00 22.03 C ATOM 2064 CG PRO A 122 -12.368 7.647 8.991 1.00 2.12 C ATOM 2065 CD PRO A 122 -12.137 6.638 10.092 1.00 55.32 C ATOM 0 HA PRO A 122 -9.405 6.290 8.222 1.00 63.22 H new ATOM 0 HB2 PRO A 122 -11.043 8.341 7.450 1.00 22.03 H new ATOM 0 HB3 PRO A 122 -11.606 6.697 7.222 1.00 22.03 H new ATOM 0 HG2 PRO A 122 -12.325 8.664 9.381 1.00 2.12 H new ATOM 0 HG3 PRO A 122 -13.355 7.518 8.547 1.00 2.12 H new ATOM 0 HD2 PRO A 122 -12.236 7.092 11.078 1.00 55.32 H new ATOM 0 HD3 PRO A 122 -12.857 5.821 10.044 1.00 55.32 H new ATOM 2073 N LYS A 123 -8.623 8.739 8.433 1.00 41.35 N ATOM 2074 CA LYS A 123 -7.899 9.923 8.761 1.00 40.52 C ATOM 2075 C LYS A 123 -8.532 11.057 7.986 1.00 53.15 C ATOM 2076 O LYS A 123 -8.092 11.414 6.898 1.00 65.01 O ATOM 2077 CB LYS A 123 -6.395 9.766 8.433 1.00 15.42 C ATOM 2078 CG LYS A 123 -5.508 10.961 8.800 1.00 42.45 C ATOM 2079 CD LYS A 123 -4.048 10.668 8.458 1.00 51.20 C ATOM 2080 CE LYS A 123 -3.111 11.823 8.822 1.00 72.12 C ATOM 2081 NZ LYS A 123 -3.409 13.068 8.079 1.00 54.44 N ATOM 0 H LYS A 123 -8.574 8.479 7.448 1.00 41.35 H new ATOM 0 HA LYS A 123 -7.950 10.127 9.831 1.00 40.52 H new ATOM 0 HB2 LYS A 123 -6.019 8.884 8.952 1.00 15.42 H new ATOM 0 HB3 LYS A 123 -6.293 9.575 7.365 1.00 15.42 H new ATOM 0 HG2 LYS A 123 -5.843 11.848 8.263 1.00 42.45 H new ATOM 0 HG3 LYS A 123 -5.602 11.178 9.864 1.00 42.45 H new ATOM 0 HD2 LYS A 123 -3.730 9.768 8.984 1.00 51.20 H new ATOM 0 HD3 LYS A 123 -3.964 10.460 7.391 1.00 51.20 H new ATOM 0 HE2 LYS A 123 -3.184 12.019 9.892 1.00 72.12 H new ATOM 0 HE3 LYS A 123 -2.082 11.525 8.622 1.00 72.12 H new ATOM 0 HZ1 LYS A 123 -2.692 13.787 8.304 1.00 54.44 H new ATOM 0 HZ2 LYS A 123 -3.396 12.874 7.057 1.00 54.44 H new ATOM 0 HZ3 LYS A 123 -4.349 13.419 8.353 1.00 54.44 H new ATOM 2095 N ALA A 124 -9.628 11.551 8.500 1.00 4.13 N ATOM 2096 CA ALA A 124 -10.368 12.585 7.835 1.00 64.32 C ATOM 2097 C ALA A 124 -9.873 13.950 8.225 1.00 45.33 C ATOM 2098 O ALA A 124 -10.345 14.537 9.199 1.00 31.31 O ATOM 2099 CB ALA A 124 -11.861 12.454 8.089 1.00 4.13 C ATOM 0 H ALA A 124 -10.029 11.248 9.387 1.00 4.13 H new ATOM 0 HA ALA A 124 -10.203 12.463 6.764 1.00 64.32 H new ATOM 0 HB1 ALA A 124 -12.390 13.254 7.570 1.00 4.13 H new ATOM 0 HB2 ALA A 124 -12.210 11.489 7.720 1.00 4.13 H new ATOM 0 HB3 ALA A 124 -12.056 12.525 9.159 1.00 4.13 H new ATOM 2105 N SER A 125 -8.877 14.402 7.499 1.00 63.40 N ATOM 2106 CA SER A 125 -8.280 15.701 7.656 1.00 60.33 C ATOM 2107 C SER A 125 -7.159 15.802 6.644 1.00 24.04 C ATOM 2108 O SER A 125 -6.075 15.217 6.821 1.00 64.52 O ATOM 2109 CB SER A 125 -7.734 15.917 9.091 1.00 14.33 C ATOM 2110 OG SER A 125 -7.261 17.244 9.284 1.00 42.32 O ATOM 0 H SER A 125 -8.447 13.852 6.756 1.00 63.40 H new ATOM 0 HA SER A 125 -9.031 16.474 7.492 1.00 60.33 H new ATOM 0 HB2 SER A 125 -8.520 15.703 9.815 1.00 14.33 H new ATOM 0 HB3 SER A 125 -6.925 15.212 9.282 1.00 14.33 H new ATOM 0 HG SER A 125 -6.927 17.342 10.200 1.00 42.32 H new ATOM 2116 N ASN A 126 -7.426 16.461 5.559 1.00 13.44 N ATOM 2117 CA ASN A 126 -6.446 16.623 4.525 1.00 31.45 C ATOM 2118 C ASN A 126 -5.726 17.931 4.735 1.00 13.15 C ATOM 2119 O ASN A 126 -6.246 18.996 4.403 1.00 43.41 O ATOM 2120 CB ASN A 126 -7.100 16.595 3.137 1.00 74.15 C ATOM 2121 CG ASN A 126 -6.090 16.729 2.011 1.00 63.31 C ATOM 2122 OD1 ASN A 126 -5.739 17.837 1.607 1.00 73.44 O ATOM 2123 ND2 ASN A 126 -5.646 15.615 1.467 1.00 73.35 N ATOM 0 H ASN A 126 -8.325 16.901 5.364 1.00 13.44 H new ATOM 0 HA ASN A 126 -5.737 15.797 4.574 1.00 31.45 H new ATOM 0 HB2 ASN A 126 -7.650 15.661 3.018 1.00 74.15 H new ATOM 0 HB3 ASN A 126 -7.827 17.404 3.066 1.00 74.15 H new ATOM 0 HD21 ASN A 126 -4.991 15.655 0.686 1.00 73.35 H new ATOM 0 HD22 ASN A 126 -5.957 14.713 1.826 1.00 73.35 H new ATOM 2130 N TRP A 127 -4.573 17.874 5.335 1.00 1.52 N ATOM 2131 CA TRP A 127 -3.819 19.062 5.579 1.00 70.01 C ATOM 2132 C TRP A 127 -2.946 19.367 4.383 1.00 3.43 C ATOM 2133 O TRP A 127 -1.913 18.718 4.154 1.00 11.01 O ATOM 2134 CB TRP A 127 -2.997 18.961 6.872 1.00 11.53 C ATOM 2135 CG TRP A 127 -2.260 20.227 7.192 1.00 43.33 C ATOM 2136 CD1 TRP A 127 -0.938 20.478 6.997 1.00 43.24 C ATOM 2137 CD2 TRP A 127 -2.820 21.425 7.746 1.00 2.32 C ATOM 2138 NE1 TRP A 127 -0.639 21.755 7.399 1.00 24.45 N ATOM 2139 CE2 TRP A 127 -1.775 22.357 7.863 1.00 1.43 C ATOM 2140 CE3 TRP A 127 -4.103 21.795 8.152 1.00 1.20 C ATOM 2141 CZ2 TRP A 127 -1.972 23.638 8.369 1.00 23.33 C ATOM 2142 CZ3 TRP A 127 -4.299 23.064 8.655 1.00 53.54 C ATOM 2143 CH2 TRP A 127 -3.241 23.973 8.761 1.00 23.40 C ATOM 0 H TRP A 127 -4.136 17.013 5.664 1.00 1.52 H new ATOM 0 HA TRP A 127 -4.514 19.889 5.722 1.00 70.01 H new ATOM 0 HB2 TRP A 127 -3.660 18.713 7.700 1.00 11.53 H new ATOM 0 HB3 TRP A 127 -2.282 18.143 6.780 1.00 11.53 H new ATOM 0 HD1 TRP A 127 -0.228 19.776 6.586 1.00 43.24 H new ATOM 0 HE1 TRP A 127 0.284 22.187 7.358 1.00 24.45 H new ATOM 0 HE3 TRP A 127 -4.927 21.101 8.074 1.00 1.20 H new ATOM 0 HZ2 TRP A 127 -1.156 24.341 8.450 1.00 23.33 H new ATOM 0 HZ3 TRP A 127 -5.287 23.361 8.973 1.00 53.54 H new ATOM 0 HH2 TRP A 127 -3.429 24.959 9.160 1.00 23.40 H new ATOM 2154 N GLY A 128 -3.394 20.294 3.605 1.00 42.33 N ATOM 2155 CA GLY A 128 -2.694 20.717 2.450 1.00 31.51 C ATOM 2156 C GLY A 128 -3.309 21.974 1.965 1.00 70.10 C ATOM 2157 O GLY A 128 -2.615 22.805 1.368 1.00 38.52 O ATOM 2158 OXT GLY A 128 -4.518 22.169 2.223 1.00 38.52 O ATOM 0 H GLY A 128 -4.274 20.785 3.761 1.00 42.33 H new ATOM 0 HA2 GLY A 128 -1.641 20.875 2.681 1.00 31.51 H new ATOM 0 HA3 GLY A 128 -2.739 19.950 1.677 1.00 31.51 H new TER 2162 GLY A 128